data_2kt5_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 2kt5 _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 ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.829 0.347 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.69 -179.92 26.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.14 160.16 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -101.4 146.14 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tp -129.71 110.38 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -98.24 110.92 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.01 141.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -135.42 173.24 11.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 61.65 40.34 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.01 -179.74 7.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 175.11 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.0 12.54 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.401 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -105.18 -39.2 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.43 129.34 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -109.86 154.56 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.33 -51.2 6.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.94 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -52.56 -47.86 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.49 -38.06 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -52.3 -61.85 2.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -64.58 -40.94 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.04 -14.41 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.56 0.88 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.56 -53.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 8.4 mm-40 -49.67 -25.44 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 1.0 OUTLIER -53.56 -33.57 55.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.9 -76.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.71 123.28 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.158 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 60.6 tp -132.05 115.32 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.42 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 155.1 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.75 97.35 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.45 123.47 31.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.6 p -87.02 142.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.18 129.56 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -124.87 130.78 53.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -59.1 -175.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 t -117.52 -24.01 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.71 24.05 4.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -143.87 142.23 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 115.1 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -28.92 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.77 33.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -157.85 146.94 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.163 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.51 154.73 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -131.5 125.55 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.66 140.49 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -114.38 141.39 47.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -113.0 149.46 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.03 -15.71 57.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -141.24 175.08 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -91.57 -35.76 14.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.37 -48.87 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -66.58 -42.95 86.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.46 -60.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.09 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -57.42 -74.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.23 -21.76 62.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 ttm -61.75 -64.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -70.59 -20.7 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -79.61 -26.17 41.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.48 -5.0 15.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.1 108.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.97 17.2 43.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.79 147.23 32.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.75 59.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.611 2.208 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.93 83.79 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 t70 73.62 6.52 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.07 34.43 0.68 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.401 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -164.26 116.93 0.99 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 137.95 36.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.78 160.23 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -129.62 120.99 26.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.92 137.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -125.51 138.52 53.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.43 125.99 31.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.29 136.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.97 107.77 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.9 -179.852 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.606 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.606 ' C ' ' O ' ' B' ' 105' ' ' TRP . 62.4 m -18.48 109.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 65.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 149.11 52.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -45.23 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.338 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.0 173.09 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.87 159.7 36.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.71 150.09 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -134.97 112.44 10.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.19 120.05 38.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.4 126.16 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.78 167.03 11.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.23 53.49 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.15 179.02 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.71 172.0 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.02 9.99 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.2 -40.88 2.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.08 119.55 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -98.88 148.61 23.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.7 -40.55 4.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.5 72.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -53.52 -44.03 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mm -71.03 -35.49 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 12.4 tp60 -57.91 -51.42 69.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.74 -34.43 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.71 -13.39 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.74 -7.17 10.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -100.99 -49.58 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 48.9 mm-40 -49.46 -26.33 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.88 -30.22 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.02 -78.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.39 121.63 26.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.772 0.32 . . . . 0.0 111.091 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 96' ' ' ALA . 64.3 tp -134.14 120.45 20.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 155.91 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.83 101.5 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.55 126.15 30.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 3.4 p -84.09 142.96 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.52 130.48 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.17 137.6 54.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.39 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -93.36 18.69 9.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -116.9 -25.64 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.66 23.49 3.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -136.37 138.62 41.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -60.07 115.47 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -28.83 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.37 29.4 0.92 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -161.32 146.24 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' VAL . . . -132.55 157.08 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -122.18 135.98 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.8 t -143.23 142.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.23 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -125.59 126.86 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -105.82 149.58 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.1 -11.91 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -142.01 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -91.91 -36.68 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.98 -50.5 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -41.89 96.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.8 -33.94 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 53.1 mmtt -61.13 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.78 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.4 ttp -63.7 -63.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -65.53 -22.29 66.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -82.71 -24.42 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -111.71 8.08 20.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -75.45 109.33 8.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.47 14.61 55.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.15 146.27 31.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.8 Cg_endo -69.74 158.6 56.44 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -136.19 82.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.1 t0 74.73 5.86 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.46 33.49 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.58 117.48 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.4 Cg_endo -69.7 137.93 36.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.06 157.64 45.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.74 120.23 24.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.35 139.27 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -130.68 136.81 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.5 tp -75.63 127.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.1 136.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -72.91 140.16 47.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.556 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.556 ' C ' ' O ' ' B' ' 105' ' ' TRP . 60.0 p -23.86 110.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -139.22 74.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.62 149.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -42.13 -89.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.73 0.3 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.82 -177.25 21.47 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.29 159.03 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -98.44 147.9 24.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -134.11 110.47 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tp -98.0 116.32 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.56 130.97 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.253 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -123.13 168.38 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 t30 60.22 49.45 7.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.77 178.85 6.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -119.06 166.73 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.2 6.88 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.05 -41.88 2.53 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.406 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 m -63.02 126.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.5 p -108.33 156.25 19.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.38 -55.15 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.57 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -53.1 -45.73 68.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.83 -38.03 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -54.61 -54.37 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -68.55 -40.97 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.12 -12.51 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.07 -1.58 8.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.73 -52.98 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.43 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 36.1 mm-40 -48.42 -25.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -43.74 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 118.36 20.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 41.3 tp -128.05 124.41 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -71.81 -43.67 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.61 151.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 106.01 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.033 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.81 119.79 19.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.01 144.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -79.04 126.36 30.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -118.36 141.4 48.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -172.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -93.59 17.99 10.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.39 -26.66 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.84 22.79 3.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -134.61 138.19 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 113.41 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.55 -29.84 18.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 32.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.4 m -161.32 145.97 13.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.94 158.01 45.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -130.17 126.85 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.46 141.32 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -117.62 139.13 51.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -109.34 152.81 24.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.77 -17.0 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.46 173.71 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.02 -37.86 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.5 61.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.88 -40.41 97.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.0 -61.23 2.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.8 -32.06 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -60.82 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.04 -24.09 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.9 ttp -63.92 -53.23 53.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -76.22 -20.28 57.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -85.06 -20.5 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -113.5 -10.86 13.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -52.04 108.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 57.87 18.73 33.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.75 143.17 25.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.4 Cg_endo -69.93 158.43 56.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.45 74.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 t70 69.75 13.83 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.5 36.36 0.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.59 109.31 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.3 Cg_endo -69.7 136.64 33.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.625 2.216 . . . . 0.0 112.274 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.95 160.27 38.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.32 121.45 23.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.2 138.54 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -126.42 138.52 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.2 tp -83.96 126.36 32.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.27 135.95 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.16 122.87 23.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.808 -179.812 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.49 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.75 0.31 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.49 ' C ' ' O ' ' B' ' 105' ' ' TRP . 50.1 p -29.64 110.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.18 56.78 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.36 148.9 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -43.95 -90.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.108 179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.849 0.356 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.48 -176.74 22.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.81 156.27 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 147.17 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.86 106.15 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -92.91 111.92 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.67 142.44 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.234 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 m -136.46 171.05 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.0 t30 57.25 46.86 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.03 176.52 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -113.97 166.71 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.51 7.57 14.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.59 -41.61 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.34 123.89 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -105.34 155.38 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.5 -41.54 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.62 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.91 -43.41 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.99 -38.87 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -54.41 -52.11 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -71.3 -37.92 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -11.92 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -121.98 -6.41 8.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -102.2 -50.92 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.426 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 28.2 mm-40 -47.82 -27.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.25 -38.28 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 166.72 -77.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.595 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.74 120.3 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 65.5 tp -131.74 123.53 27.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -71.23 -43.07 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.35 158.26 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.22 98.08 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.16 120.44 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.25 143.89 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -78.68 130.39 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.05 130.33 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.22 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -94.58 27.63 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -118.83 -30.82 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.14 28.98 1.27 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -153.65 155.02 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -64.99 110.74 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -25.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.58 35.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -162.14 147.11 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.1 155.95 48.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -124.37 132.78 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.98 142.76 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -124.09 134.09 53.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -113.77 150.25 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -82.33 -15.07 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.23 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.3 ttm-85 -91.37 -37.74 13.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.93 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.24 -41.95 99.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.11 -61.92 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -54.36 -31.98 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.5 mmpt? -62.07 -76.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.72 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 13.2 ttp -65.93 -55.35 17.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -72.93 -19.13 61.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -87.16 -23.15 24.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -110.79 -4.99 15.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 108.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.87 36.47 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.58 146.63 32.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.705 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.88 161.95 44.01 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.559 2.173 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.12 75.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 70.91 14.31 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.69 36.85 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.09 112.0 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.2 Cg_endo -69.62 138.88 39.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.35 158.02 45.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.13 118.83 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.46 138.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -126.15 138.03 53.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.9 tp -81.65 129.18 34.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 40.7 t -127.03 132.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.03 103.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.557 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.777 0.322 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.557 ' C ' ' O ' ' B' ' 105' ' ' TRP . 47.4 t -24.44 112.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -134.45 67.67 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.96 149.75 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -27.91 -84.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.751 0.31 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.38 -178.16 20.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.28 153.85 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -95.25 149.7 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.65 109.93 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 tp -97.44 112.1 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.65 140.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m -134.18 175.39 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.0 t30 59.89 44.73 13.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.55 177.16 7.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.56 173.88 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 8.59 26.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -95.63 -9.34 57.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.65 164.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -135.63 150.66 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.39 -57.9 3.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.58 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -53.45 -44.02 68.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 mm -71.22 -36.13 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -56.55 -52.11 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.57 -33.94 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.36 -12.67 60.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -121.91 -6.55 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -99.91 -48.33 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 17.2 mm-40 -50.41 -25.08 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.59 -29.76 62.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.51 -81.02 0.16 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 119.1 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.9 tp -130.04 119.32 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -65.17 -43.95 90.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 156.47 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.53 104.24 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.71 122.79 22.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.6 p -83.69 144.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.38 123.25 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.34 152.05 26.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -168.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 61.7 mmt-85 -95.58 29.76 2.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -131.58 -41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 135.22 37.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -152.66 142.85 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -59.48 115.85 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -24.29 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.84 30.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.0 146.12 12.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.712 0.291 . . . . 0.0 111.13 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.35 155.95 48.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.1 t -143.59 143.0 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -125.53 131.25 52.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -110.1 149.09 30.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.12 -14.0 58.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -142.09 176.94 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.922 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -92.78 -37.71 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.04 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.53 -48.12 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.12 24.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -57.22 -36.3 70.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 3.5 mmtm -59.35 -72.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.34 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.45 -53.66 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -19.74 58.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.47 -21.19 28.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -111.6 -13.56 13.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 109.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.12 18.08 40.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.406 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -98.14 146.1 30.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 54.6 Cg_endo -69.77 156.34 63.56 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -136.87 85.06 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.2 t0 75.64 5.52 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.75 31.24 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.54 118.82 1.52 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.8 Cg_endo -69.81 139.23 39.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.37 159.56 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.01 122.83 33.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.96 134.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -121.84 138.87 54.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.81 128.62 34.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.0 134.21 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.31 110.93 4.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.56 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.56 ' C ' ' O ' ' B' ' 105' ' ' TRP . 81.6 p -24.53 112.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.6 62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -126.48 150.84 48.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.62 -83.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.838 0.352 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.43 174.51 27.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.4 155.56 24.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.945 0.402 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -98.86 146.17 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -128.34 109.48 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -100.38 109.69 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.37 140.31 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.7 m -133.05 174.34 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t30 61.79 41.85 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.77 175.68 9.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -128.68 174.57 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.31 13.41 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.424 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -103.4 -6.43 44.55 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.48 164.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -138.09 150.07 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.33 -55.92 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.74 -46.6 59.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.9 -44.55 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mm -71.56 -37.46 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 4.8 mt-30 -53.38 -55.79 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.2 -38.71 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.95 -11.54 60.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.57 -1.44 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -103.3 -49.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.8 mm-40 -48.56 -26.35 2.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 4.0 m-85 -53.77 -31.63 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.81 -78.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.6 119.76 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.194 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 62.2 tp -130.9 111.19 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -56.27 -47.22 79.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.64 153.08 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.05 113.78 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.84 121.01 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.15 144.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.36 125.51 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -110.61 137.18 48.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -59.64 -171.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -93.16 24.03 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -119.01 -29.14 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.74 22.17 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.11 149.86 40.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -55.37 111.12 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.56 -23.34 10.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.3 29.24 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -162.42 146.53 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.75 152.03 50.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -118.11 134.73 54.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.13 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -124.3 136.06 53.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.35 148.43 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.55 -14.2 59.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -146.22 138.58 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -19.71 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.79 75.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.21 -42.07 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.88 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -66.12 -34.96 79.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.408 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 2.6 mttt -57.56 -65.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.87 68.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.5 ttp -58.94 -58.62 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.45 -25.23 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -77.39 -20.3 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -115.2 -6.33 12.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 108.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.2 14.74 48.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -91.59 143.15 27.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.7 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.92 157.52 59.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.11 82.0 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 74.03 7.68 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.57 30.35 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.424 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -158.94 116.62 1.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.68 138.52 38.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 2.228 . . . . 0.0 112.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.65 155.59 49.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.45 138.94 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -127.47 135.74 50.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.23 133.81 38.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.7 135.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.91 123.5 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.558 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.558 ' C ' ' O ' ' B' ' 105' ' ' TRP . 98.3 p -23.08 112.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -144.82 77.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.2 OUTLIER -133.54 148.87 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.95 -82.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.419 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 0.0 111.151 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.21 176.87 25.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.98 36.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.385 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.37 143.48 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -131.37 113.25 13.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tp -102.08 116.04 31.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.793 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.46 134.13 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -126.98 167.81 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.4 t30 61.7 43.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.74 178.17 7.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.73 174.11 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.88 11.7 12.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.13 -41.08 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.56 125.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -107.72 156.54 18.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.72 -40.09 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.9 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.3 mm -71.79 -40.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -52.7 -53.32 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.14 -41.66 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.15 -11.02 58.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -120.99 -8.52 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -100.62 -52.75 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.415 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.9 mm-40 -47.19 -27.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.35 -40.64 65.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.64 -76.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 120.45 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD11 HG21 ' A' ' 120' ' ' VAL . 67.7 tp -131.87 125.53 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 121' ' ' HIS . 5.1 mtmm -70.76 -48.58 53.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.83 133.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.956 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.78 106.86 11.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.98 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.63 144.54 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.92 130.3 35.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.86 134.37 54.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.63 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.12 22.0 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -115.67 -21.91 9.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 21.14 6.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -139.07 152.25 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 119.02 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -26.16 59.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.8 29.49 1.04 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.45 146.1 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.71 157.65 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -128.98 131.6 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.483 HG21 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.58 140.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 102' ' ' LYS . 35.2 m170 -111.26 140.71 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.79 147.3 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -83.19 -15.15 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 170.5 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.808 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -90.47 -36.2 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.07 -49.11 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -64.02 -42.01 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.92 2.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.3 -33.32 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.6 mmpt? -60.9 -74.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -23.54 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.89 -56.02 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -75.95 -15.77 60.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -88.5 -20.93 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -112.29 -17.79 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.013 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -53.02 110.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.92 15.24 55.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 141.65 23.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.65 52.62 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.215 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.53 13.87 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.6 36.67 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.65 110.64 0.6 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.68 31.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.29 158.48 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.18 138.71 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -123.11 137.29 54.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.004 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.2 tp -81.89 125.65 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.17 135.0 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.29 106.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.58 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.58 ' C ' ' O ' ' B' ' 105' ' ' TRP . 96.2 p -22.71 107.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -126.92 48.13 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.72 148.77 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -46.41 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 111.135 179.885 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.791 0.329 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.32 -176.9 23.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.28 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 142.62 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -126.4 108.81 11.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.16 109.29 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.8 t -91.81 141.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 171.89 13.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.7 37.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.43 179.53 7.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.52 164.13 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.88 2.1 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.91 -36.82 6.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.84 125.96 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.7 p -103.39 154.19 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -56.14 3.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.06 -46.51 61.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.26 -47.92 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mm -69.58 -39.9 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' ALA . 7.2 mt-30 -52.02 -61.61 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.31 -41.74 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.47 -14.61 57.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -125.28 2.33 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.3 -53.26 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.472 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 25.8 mm-40 -48.98 -25.92 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 1.1 m-85 -52.52 -33.0 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.35 -75.51 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 122.67 31.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 37.3 tp -133.7 118.82 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.5 -46.59 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -172.26 153.27 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.49 108.41 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -141.17 127.71 20.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 41.7 t -76.24 144.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.32 98.51 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.75 141.82 28.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -66.63 -167.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -90.23 18.16 6.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -116.42 -42.69 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.98 36.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -154.77 136.36 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.4 t -51.49 110.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -20.8 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.22 33.96 0.56 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -160.6 146.59 15.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' VAL . . . -132.53 153.36 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -129.12 124.19 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.15 139.78 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -114.57 144.55 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -116.01 150.25 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.04 -18.68 49.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -138.22 173.74 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -91.72 -35.71 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.2 -50.14 50.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.52 -43.48 80.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.26 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.06 -33.78 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.3 mtmt -58.1 -73.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.16 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ttp -59.96 -63.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.78 -19.13 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -81.88 -21.92 37.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.43 3.0 12.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 108.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.12 16.22 47.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.85 148.74 35.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.2 Cg_endo -69.76 158.71 56.01 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -138.71 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.17 6.51 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.02 33.83 0.77 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 118.46 1.13 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.73 139.18 39.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.618 2.212 . . . . 0.0 112.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.84 154.65 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.44 116.02 22.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.94 125.11 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -116.0 139.01 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 68.7 t -128.05 135.86 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -77.94 124.59 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 105' ' ' TRP . 51.8 p -28.9 112.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -143.21 80.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.2 OUTLIER -133.15 149.59 52.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.82 -85.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.802 0.334 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.7 -173.62 24.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.55 156.47 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 146.69 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.21 107.2 9.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 tp -94.83 111.23 23.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.54 137.31 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -130.48 170.34 14.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.4 t30 60.71 48.23 7.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.21 -179.46 6.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.85 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.12 10.93 12.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.69 -39.86 2.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.18 127.4 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 p -106.11 152.2 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.61 -58.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.11 63.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.42 -45.89 69.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.7 mm -68.1 -37.86 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -56.73 -51.73 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -68.16 -37.0 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -75.99 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -123.8 0.96 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -109.25 -47.27 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.435 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 27.2 mm-40 -46.97 -28.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -55.43 -45.99 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.97 -65.19 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 152.58 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.126 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 tt -151.7 111.12 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.89 -50.4 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.09 117.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.8 102.79 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.98 122.9 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.81 144.61 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -76.98 129.11 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.46 129.16 52.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -94.78 26.64 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.25 -27.66 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.84 19.58 3.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -143.69 161.81 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.29 112.26 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -23.92 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.89 36.41 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -161.8 147.22 13.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.38 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -128.32 121.28 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -140.52 143.98 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -120.3 139.82 52.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -110.72 154.0 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -84.83 -10.66 56.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -143.7 174.57 10.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.29 -37.46 12.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.31 -51.25 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.95 -44.87 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.88 -59.35 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -53.89 -35.48 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -61.17 -76.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.42 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.8 ttp -62.59 -63.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -71.04 -13.53 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.49 -20.86 23.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -112.64 -13.98 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -52.57 110.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.89 18.33 56.77 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.24 148.03 35.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.93 158.67 55.96 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -135.94 80.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.6 t0 74.39 6.34 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 127.12 33.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -164.31 116.7 0.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.963 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.4 40.08 Favored 'Trans proline' 0 C--N 1.34 0.098 0 C-N-CA 122.685 2.257 . . . . 0.0 112.201 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.81 162.42 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.16 124.53 32.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.36 133.86 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -123.65 136.97 54.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.89 126.82 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.03 136.02 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.99 127.85 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.485 ' C ' ' O ' ' B' ' 105' ' ' TRP . 78.0 p -30.78 110.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -130.19 31.88 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.2 OUTLIER -87.68 150.93 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -32.62 -83.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.443 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.52 -179.36 18.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.44 159.9 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -100.77 148.27 25.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -131.96 107.09 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.47 110.39 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.2 t -92.6 142.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.201 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.7 m -135.85 171.55 14.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.9 t30 60.66 43.43 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.23 179.38 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.78 174.39 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.27 11.39 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.98 -10.27 26.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.06 124.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 p -106.38 156.14 18.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -42.28 -46.04 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.37 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.11 -43.96 67.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.3 mm -70.12 -41.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.4 mt-30 -52.24 -57.76 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.71 -40.21 91.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.43 -11.37 60.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.25 -1.05 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -107.47 -50.56 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 40.8 mm-40 -48.43 -26.55 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.55 -48.03 66.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.88 -75.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.84 119.63 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 44.7 tp -129.54 129.67 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -48.01 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 134.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.0 106.77 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.25 120.13 26.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -81.55 144.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.29 129.27 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -120.15 135.62 54.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -58.22 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -92.21 38.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -136.03 -38.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.96 28.87 0.64 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -144.47 153.2 41.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.0 107.13 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -25.42 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.69 35.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.06 147.18 12.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -132.86 152.06 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -129.66 122.23 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 p -142.77 143.0 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -119.77 140.79 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -110.41 151.79 27.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -78.89 -16.16 57.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -139.53 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -93.21 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -51.05 -51.83 49.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.82 -52.98 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 132' ' ' MET . . . -53.1 -50.71 63.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.62 -37.07 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.487 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -62.66 -74.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.78 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.54 -25.63 27.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 8.1 ttp -63.45 -62.38 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -70.61 -13.38 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -90.78 -20.71 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.44 -15.23 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.09 19.17 56.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.23 147.75 34.84 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.68 0.752 . . . . 0.0 111.037 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 158.51 56.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -137.13 81.99 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 t0 74.65 6.16 4.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.09 33.7 0.67 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.87 117.27 1.04 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.83 38.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.249 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.23 159.43 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.88 121.67 30.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.02 133.63 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -122.4 137.33 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.8 tp -81.91 128.83 34.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.9 t -127.01 135.89 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.7 115.98 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.577 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.742 0.306 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.577 ' C ' ' O ' ' B' ' 105' ' ' TRP . 61.2 m -22.35 112.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -134.06 66.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.41 151.33 51.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.41 -83.68 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.475 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.53 -179.9 31.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.96 41.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.966 0.412 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -100.99 152.21 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tp -134.9 107.79 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.43 114.07 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.98 125.43 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.01 168.77 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.5 t30 56.56 56.19 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.67 -178.85 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.24 164.86 13.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -86.01 8.78 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.95 -36.32 2.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.8 m -62.93 126.64 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.224 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -104.12 152.07 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -53.3 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.77 55.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.3 mm -68.27 -36.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -59.62 -49.76 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.0 -35.36 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.15 -12.68 60.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -119.74 1.3 11.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -111.56 -47.28 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 5.8 mm-40 -46.7 -28.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 4.4 m-85 -57.01 -44.4 82.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.6 -71.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.84 147.34 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.152 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD11 ' HB1' ' A' ' 96' ' ' ALA . 3.1 tt -142.98 111.46 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -64.86 -50.25 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.81 119.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.53 113.0 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.037 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.22 127.29 14.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.0 p -88.3 144.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.07 128.43 34.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.97 135.78 55.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -94.59 20.12 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t -118.14 -27.56 6.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.96 25.54 2.51 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -142.11 137.11 30.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -54.73 118.3 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -25.31 38.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.97 28.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.52 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.8 m -158.03 146.09 18.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 111.139 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.65 152.43 51.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.13 132.81 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.4 143.11 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.34 135.21 55.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -111.92 156.18 22.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.61 -13.98 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -144.96 135.81 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -17.22 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -62.69 -53.22 57.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.6 -46.73 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.59 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.74 -37.69 79.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.501 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 29.2 mmtm -62.47 -72.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.51 -25.91 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.0 ttp -64.94 -54.9 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -75.21 -15.41 60.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -90.14 -23.32 21.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -108.74 -12.45 14.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 108.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.44 16.84 45.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.85 144.66 28.21 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.684 0.755 . . . . 0.0 111.079 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.8 Cg_endo -69.79 159.54 53.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.246 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.75 75.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.4 t70 69.99 14.93 7.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.3 37.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.64 111.89 0.48 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.6 139.31 40.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.78 158.64 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.47 121.04 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.41 138.97 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -131.4 118.89 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.86 132.22 47.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.8 t -126.87 135.12 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.35 8.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 -179.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.569 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.569 ' C ' ' O ' ' B' ' 105' ' ' TRP . 95.9 p -23.12 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -137.38 76.55 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.63 149.49 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -29.41 -85.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.451 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 -174.05 24.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.78 155.88 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -95.34 147.08 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.89 109.71 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -97.62 117.07 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.18 130.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.49 168.27 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t30 61.5 50.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.56 178.81 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.74 171.27 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 10.72 11.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.24 -41.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 m -63.06 127.88 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -109.46 156.57 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.39 -55.24 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.56 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -52.84 -45.69 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.12 -38.45 71.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -53.8 -56.83 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.69 -40.16 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.81 -11.97 59.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -125.53 0.6 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.12 -51.51 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.455 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 12.2 mm-40 -49.06 -25.39 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.93 -33.0 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.83 -78.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.15 121.13 28.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 41.8 tp -131.84 115.52 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -61.3 -46.72 89.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 153.61 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.28 110.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.07 120.83 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.8 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.65 129.06 34.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -122.96 134.61 54.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -59.6 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -96.19 27.6 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.87 -31.56 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.73 27.83 1.52 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -148.0 139.52 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.16 116.39 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -29.78 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.06 32.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 m -161.52 146.43 13.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.25 158.39 43.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -130.98 126.83 37.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.21 141.58 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -117.45 139.08 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -109.45 152.8 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -80.73 -15.8 55.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -140.64 175.84 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -91.78 -36.73 13.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -49.88 56.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.8 -40.89 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.02 -63.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -53.67 -33.25 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.485 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -60.26 -76.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.48 -21.85 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.0 ttp -64.14 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.1 -15.95 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -85.95 -25.06 26.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -108.85 -11.95 14.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.83 110.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.27 15.67 51.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.63 145.96 30.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.535 0.684 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.91 158.94 55.09 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.71 83.55 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.95 10.42 7.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.8 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.26 39.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.64 115.53 0.46 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.956 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.62 38.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.53 160.42 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 122.31 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.67 138.58 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -128.05 138.57 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.08 128.34 33.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.5 t -126.93 136.01 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.93 120.83 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -179.776 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.578 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.313 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.578 ' C ' ' O ' ' B' ' 105' ' ' TRP . 74.6 m -21.83 113.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -139.48 71.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.53 151.24 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -30.39 -85.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 111.146 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.839 0.352 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.64 179.67 18.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.42 159.39 37.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.72 150.25 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 tp -136.38 110.18 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 tp -95.08 115.91 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -93.72 132.45 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 m -126.61 169.44 13.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.4 t30 60.82 42.68 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.56 -179.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.87 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.68 10.32 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.02 -38.7 2.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.9 m -63.79 128.93 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 p -106.67 151.78 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.93 -40.51 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.45 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.19 -44.74 68.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.93 -37.33 72.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -55.7 -52.92 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.75 -13.31 61.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.2 -7.02 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -102.3 -51.08 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 13.2 mm-40 -47.83 -27.6 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.1 -47.33 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.49 -73.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.79 118.89 17.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.8 tp -130.68 121.72 26.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -68.94 -42.72 76.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 155.04 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.61 105.49 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.52 124.1 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.48 144.81 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -83.47 130.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.96 138.8 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -59.13 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.98 25.38 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -120.47 -29.09 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.778 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.91 17.66 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.29 151.1 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -60.44 109.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -25.43 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.37 30.68 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.51 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -162.04 146.25 12.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.101 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.61 156.37 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -120.69 136.4 54.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 t -143.39 140.5 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -124.25 125.74 44.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.96 147.67 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.18 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.59 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -93.52 -40.99 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -50.74 -53.37 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -56.78 -49.77 74.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 132' ' ' MET . . . -54.55 -52.88 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -56.24 -35.49 67.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.58 -75.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.32 -24.14 27.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.405 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 2.5 ttp -64.46 -61.65 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -72.81 -12.21 60.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -90.33 -24.49 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -108.83 -15.96 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.77 109.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.17 18.08 59.97 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.64 20.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.995 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.93 157.35 60.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 73.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t0 68.2 17.53 9.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.0 38.04 0.58 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.589 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.28 107.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.5 Cg_endo -69.72 135.32 30.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.57 155.57 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 117.71 22.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.45 137.59 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -126.64 139.63 53.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.0 tt -78.88 129.33 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.67 135.69 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.5 126.53 29.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.747 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.54 ' C ' ' O ' ' B' ' 105' ' ' TRP . 87.8 p -25.59 111.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -136.7 73.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.55 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.4 OUTLIER -133.49 149.2 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -24.2 -86.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.43 -178.02 26.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.64 159.03 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.21 147.28 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -130.83 106.37 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -94.7 111.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.1 t -92.6 140.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 m -133.04 171.91 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.41 45.34 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.26 179.76 7.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.89 174.85 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.44 13.82 12.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.401 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -110.45 -10.28 22.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.07 120.41 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -101.54 153.88 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.64 -40.13 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.73 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.22 -42.5 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.21 -36.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.1 tp60 -58.53 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.55 -33.02 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.96 -12.14 59.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -119.93 -8.59 9.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -101.84 -49.4 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 15.4 mm-40 -47.28 -28.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.37 -40.79 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.84 -75.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.49 121.88 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.191 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 96' ' ' ALA . 58.7 tp -132.64 118.95 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.1 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.22 142.4 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.3 102.93 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 121.48 23.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -81.87 143.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.31 129.56 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.75 133.46 55.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -175.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -93.22 34.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -128.36 -36.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.24 31.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -152.34 156.93 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 110.13 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -25.28 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.969 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.56 32.19 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -161.99 146.96 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.29 152.01 51.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -119.59 133.47 55.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.46 143.77 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -126.64 133.76 50.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -113.72 153.54 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -88.7 -14.1 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 156.94 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.856 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -78.61 -36.8 43.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.03 62.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -66.31 -44.4 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.94 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.44 -34.05 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -58.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -23.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.02 -60.71 3.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -72.98 -17.66 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -85.35 -20.51 29.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -113.08 -14.35 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 111.006 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.82 110.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.8 16.64 52.32 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.54 143.6 26.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.3 Cg_endo -69.86 157.13 61.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.55 81.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.5 t70 73.91 6.58 4.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.55 33.37 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -162.86 115.11 1.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.77 137.88 36.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.55 155.2 50.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.32 121.62 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 136.17 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -123.8 137.99 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.1 tp -81.41 126.35 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.93 135.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.15 127.44 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.784 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.737 0.304 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.509 ' C ' ' O ' ' B' ' 105' ' ' TRP . 4.8 t -28.71 112.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -145.5 77.93 1.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -131.11 151.98 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.27 -86.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.163 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.47 174.98 22.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.83 16.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -94.81 152.55 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 tp -139.22 108.9 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.69 134.77 40.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.1 132.79 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.29 166.5 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.2 t30 60.87 53.34 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.97 -178.98 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.82 169.85 17.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.51 0.31 47.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.19 -11.76 77.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.39 164.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 111.132 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 m -135.13 147.55 49.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -56.76 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.74 54.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.17 -36.5 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.44 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -55.7 -52.67 63.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.84 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.0 -35.87 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.88 -11.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.53 -5.19 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -100.92 -51.04 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 18.5 mm-40 -49.88 -25.12 2.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -56.13 -31.63 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.0 -82.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.18 119.01 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 111.054 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 63.9 tp -129.03 117.69 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -41.49 87.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.69 153.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.29 109.26 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.48 126.63 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -86.54 144.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.4 123.75 26.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -112.84 151.01 30.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.79 -178.35 4.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -88.98 49.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -42.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.63 37.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -152.0 140.46 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 t -61.12 115.75 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -26.56 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.15 29.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.574 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.4 m -161.72 146.96 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.61 160.82 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -127.72 137.36 52.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.38 143.8 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.239 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -125.02 126.77 45.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.54 149.66 26.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.12 -16.13 57.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . 0.47 ' HG2' ' CG ' ' A' ' 127' ' ' ASP . 5.8 ptt180 -143.15 176.77 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -92.51 -30.81 15.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.42 45.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.47 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 4.3 p30 -67.56 -34.07 76.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.16 -60.17 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.5 OUTLIER -59.68 -31.85 69.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.1 mmtt -59.87 -73.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.86 -23.78 65.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.8 ttp -63.28 -56.49 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -19.07 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.17 -24.57 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -111.31 -8.59 14.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 108.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.69 15.32 47.19 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -94.21 146.4 31.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 54.0 Cg_endo -69.83 158.82 55.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -140.69 86.93 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.1 t0 75.82 5.78 3.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.92 29.58 1.23 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 120.82 1.97 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.79 141.52 45.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.31 155.57 46.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.32 123.53 40.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.61 135.5 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -127.83 134.47 49.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.25 132.68 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.06 135.77 62.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.32 104.69 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -25.91 113.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -143.86 65.5 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -118.8 149.69 41.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -34.25 -83.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 179.901 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.769 0.318 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.99 -178.59 19.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.16 158.94 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -95.08 155.9 16.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -139.43 105.21 5.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -93.82 116.5 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.67 134.3 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -127.89 170.76 12.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 61.98 47.79 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.78 179.58 5.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -124.59 175.05 7.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.16 11.34 10.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.28 -42.34 2.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.94 128.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 t -109.72 155.6 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -57.27 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.22 62.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.12 -45.95 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.49 -38.7 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 13.3 tp60 -53.52 -55.23 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -69.45 -40.37 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.29 -11.8 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.67 0.24 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -103.74 -52.01 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.47 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 31.4 mm-40 -49.9 -24.67 2.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 0.9 OUTLIER -55.32 -27.67 48.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.98 -80.52 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.74 122.67 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 0.0 111.111 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 40.7 tp -134.76 119.39 18.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -46.66 77.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.15 153.51 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.36 105.05 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.17 121.02 24.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.75 144.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.36 125.97 30.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.4 139.28 51.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -173.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -94.13 19.03 9.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -117.77 -27.63 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.48 23.75 2.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -136.85 140.16 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.62 114.43 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -28.74 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.92 31.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.11 146.33 14.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.066 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.86 159.74 40.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.51 128.0 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.32 141.29 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -115.38 139.46 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -111.51 153.6 25.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.46 -13.41 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -142.13 172.58 12.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -91.91 -36.7 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.01 61.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -44.19 85.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.62 -55.03 36.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.029 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.35 -34.17 73.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.0 mmtt -59.87 -73.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.49 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.1 -56.5 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -15.21 60.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -89.91 -17.01 28.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -117.22 -15.35 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -53.38 110.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.47 19.73 58.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.422 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.11 145.23 30.35 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.587 0.708 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.85 157.5 60.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -134.76 81.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 73.07 7.62 5.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.78 33.91 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.57 115.32 1.03 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.816 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.98 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.245 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.94 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 120.44 25.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.6 138.86 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -133.17 117.38 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 136.18 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.94 135.86 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.27 104.66 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.788 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.649 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.649 ' C ' ' O ' ' B' ' 105' ' ' TRP . 45.4 m -12.69 108.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' B' ' 105' ' ' TRP . 27.2 mmm180 -114.42 17.68 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.52 145.05 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -50.91 -88.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.83 0.347 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.33 -175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.94 172.26 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.12 150.78 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -133.21 110.56 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -97.91 117.69 32.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 t -101.58 119.92 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.45 168.33 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.4 t30 60.31 56.64 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.67 179.53 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.45 171.44 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 10.94 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.9 -39.02 1.92 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 m -62.85 120.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.4 p -100.79 152.26 20.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.67 -45.62 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.17 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -53.32 -42.68 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.76 -39.04 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -58.38 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.823 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.73 -35.44 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.58 -11.51 59.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.33 1.25 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -110.41 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 57.9 mm-40 -45.35 -31.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -53.62 -55.35 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.8 -67.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.426 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.72 147.96 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.68 108.97 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -62.45 -49.89 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 119.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.67 99.07 6.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.71 126.08 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 p -85.44 144.5 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.38 131.15 38.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -125.19 131.98 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.77 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -95.55 25.36 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -115.76 -28.97 6.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.34 23.66 2.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.408 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -147.06 155.0 41.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.76 121.97 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -25.85 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.01 30.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 m -161.99 146.36 12.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.836 0.351 . . . . 0.0 111.039 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.02 150.69 51.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -119.89 134.51 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.28 143.1 26.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -123.02 134.1 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -112.77 153.22 28.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.8 -10.74 47.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -147.97 135.33 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -61.74 -17.25 55.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.66 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -70.15 -42.42 72.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.46 -55.1 35.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -60.05 -37.15 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.465 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 35.8 mmtt -57.96 -69.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.1 -20.48 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.5 ttm -63.03 -57.18 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -23.19 59.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.88 -27.86 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.62 -10.16 16.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.28 108.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.61 18.45 37.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.376 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.64 146.62 31.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.9 Cg_endo -69.87 157.38 60.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.93 79.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.1 t0 70.65 11.46 7.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.73 37.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.03 112.99 0.52 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.968 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.68 138.37 37.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.18 158.0 45.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.59 117.14 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.67 136.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -131.89 135.35 46.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.6 tp -73.81 129.08 37.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.13 135.13 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.98 134.69 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.727 0.298 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.483 ' C ' ' O ' ' B' ' 105' ' ' TRP . 16.7 p -31.4 107.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -136.98 77.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.576 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.4 OUTLIER -133.47 150.83 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -22.56 -83.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 111.128 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.45 173.35 28.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.08 156.03 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -100.91 149.81 23.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tp -132.87 103.46 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -91.68 111.92 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.2 t -95.34 139.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.1 m -130.22 175.63 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.4 t30 63.83 42.08 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.87 -176.69 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 2.98 16.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.7 -45.03 5.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.58 144.42 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -115.93 145.24 43.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.25 -49.77 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.56 94.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -53.74 -45.08 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.9 mm -69.95 -39.71 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 2.0 tt0 -55.54 -56.05 24.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -66.62 -37.75 85.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -71.97 -12.45 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -122.79 0.92 9.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -108.92 -50.77 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.482 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 0.0 OUTLIER -48.31 -26.85 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.55 -43.2 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.26 -76.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.82 122.08 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 42.2 tp -133.46 127.57 33.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -73.85 -47.5 37.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.32 132.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.65 101.45 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.79 40.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.27 142.0 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.22 131.15 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.21 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -59.47 -172.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -96.79 26.26 4.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -119.82 -30.39 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.55 23.44 2.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -143.0 138.66 30.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.89 116.83 3.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -28.73 20.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.4 31.77 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.387 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 m -159.89 147.07 16.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.2 50.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.51 122.93 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.62 141.93 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -120.79 141.03 50.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -109.72 151.01 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -75.83 -12.39 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.48 176.16 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -93.91 -38.75 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -50.46 -53.69 27.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -58.28 -46.57 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.05 -51.38 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -58.79 -34.72 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.32 -74.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.53 -25.05 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.48 -56.37 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -15.29 61.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -89.57 -22.22 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -112.49 -7.75 13.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -53.82 108.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.81 17.2 41.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -96.37 146.73 31.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 156.93 62.0 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -136.16 85.22 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.5 t0 73.0 7.94 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.94 34.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.1 117.89 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.54 35.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.25 153.97 51.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.16 118.31 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.98 132.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -126.11 135.3 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.1 135.51 38.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 65.9 t -126.68 135.39 63.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.05 108.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.828 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.497 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.497 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -30.02 108.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -139.97 73.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -126.22 148.59 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -33.14 -83.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.82 -175.47 21.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.42 174.54 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.87 146.09 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -132.34 109.09 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.24 116.82 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.8 t -93.32 130.98 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 m -123.71 165.9 16.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.8 t30 62.65 47.6 4.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.43 179.82 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -119.8 173.45 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.45 12.51 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.25 -39.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.1 m -63.54 121.62 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -103.73 155.21 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.751 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.44 -36.97 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.94 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.69 -43.13 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.3 mm -73.1 -40.08 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.499 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -55.21 -48.15 74.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.45 -39.44 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.41 -9.55 58.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' A' ' 101' ' ' LEU . 5.1 m-85 -122.49 -6.43 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -102.65 -52.46 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' HB3' ' NE1' ' B' ' 105' ' ' TRP . 50.2 mm-40 -48.68 -25.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.2 -52.63 51.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.34 -72.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.19 115.87 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 30.6 tp -121.02 126.44 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -47.57 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.23 124.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.34 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.64 121.62 10.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -83.03 145.04 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.13 129.49 34.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -119.81 138.23 53.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -174.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.957 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 27.45 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -118.14 -29.56 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.24 27.55 1.64 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -152.31 157.98 42.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.35 124.6 23.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.81 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.2 30.79 0.83 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.6 m -160.02 146.83 16.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.89 157.8 43.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -133.96 124.52 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -143.23 142.68 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -114.86 140.89 48.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.75 155.74 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.08 -13.96 32.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -144.4 145.14 31.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -66.3 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.83 -48.01 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.21 -47.51 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.99 -55.79 20.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -61.16 -34.95 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -57.17 -71.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.08 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.5 ttp -60.39 -63.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -68.83 -23.94 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -78.31 -22.77 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -113.3 -0.27 14.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -65.73 109.71 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.64 17.15 48.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.426 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -100.71 141.9 23.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.653 0.739 . . . . 0.0 111.087 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.8 Cg_endo -69.78 155.79 64.96 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.738 2.292 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.72 74.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 69.59 14.52 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.95 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.11 109.73 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.0 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.237 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.21 158.94 43.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.57 120.33 20.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.24 139.22 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -127.73 138.26 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.9 tp -80.0 127.24 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.52 136.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.04 130.72 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 -179.809 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.516 ' C ' ' O ' ' B' ' 105' ' ' TRP . 1.4 t -28.48 111.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 23.89 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 148.94 24.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -37.83 -83.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.082 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.8 0.333 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.97 177.99 23.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.574 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.54 166.54 32.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.94 106.74 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -96.05 114.48 26.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.62 131.83 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -124.22 168.47 12.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.1 t30 61.53 47.76 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.8 175.38 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -126.79 161.21 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -5.26 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -18.15 72.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.11 147.06 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -121.92 158.4 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 -56.39 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.91 58.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.57 -43.29 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mm -71.78 -40.08 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 11.5 mt-30 -53.28 -54.9 29.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.95 -40.21 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.06 -10.5 58.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -125.52 1.36 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -105.0 -47.88 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 38.4 mm-40 -49.58 -26.58 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -54.2 -29.51 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.32 -80.65 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.97 122.27 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 50.2 tp -133.62 109.17 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.93 -48.67 75.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 158.57 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.21 105.59 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.99 122.24 21.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -84.62 144.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.01 121.04 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.77 158.97 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.27 14.66 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 64.22 24.77 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.84 3.29 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.78 23.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -152.24 112.68 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 t -50.97 122.14 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -25.94 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.51 30.18 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -161.67 146.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.17 159.05 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -131.67 127.46 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.98 142.22 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -117.43 139.13 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -112.24 153.08 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.03 -15.67 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -144.41 140.92 29.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -65.01 -20.36 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.56 74.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 -43.73 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.85 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -66.04 -35.19 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.43 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 40.3 mmtt -56.69 -64.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.38 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.7 ttp -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -78.92 -29.16 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.21 -18.64 60.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -115.42 -10.88 11.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 108.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.7 17.01 40.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.54 140.89 22.82 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.78 157.27 60.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.07 74.4 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t0 71.45 14.04 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.03 32.74 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 109.4 1.06 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.68 135.98 32.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.63 159.09 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.45 121.83 24.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.4 139.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -128.38 138.33 52.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.8 tp -82.85 131.2 35.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.96 135.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.24 114.36 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 8.5 t -27.71 108.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -134.39 78.97 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . 0.549 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.4 OUTLIER -134.11 149.64 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.59 -85.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.57 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.04 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.72 0.295 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.17 179.55 7.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.231 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -169.29 148.03 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ptp -151.85 137.6 17.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -170.87 136.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.92 132.2 3.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.82 112.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -118.55 -178.29 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -152.43 150.3 29.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.5 mtp -125.59 169.37 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.75 55.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.559 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -116.75 138.42 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.01 160.11 46.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.63 26.34 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.753 2.302 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 56.22 44.46 24.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -60.61 151.11 29.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.48 175.37 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.11 114.85 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -126.44 176.75 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.56 101.54 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.67 164.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -135.78 151.73 50.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -171.07 164.19 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -122.09 176.93 5.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.39 -168.41 29.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.0 p -154.98 146.72 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.64 175.43 35.42 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.403 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.76 145.43 5.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.93 146.65 4.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.33 147.85 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 149.17 44.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -89.39 125.0 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.28 -31.04 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.69 -179.92 26.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.14 160.16 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -101.4 146.14 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tp -129.71 110.38 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -98.24 110.92 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.6 t -93.01 141.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -135.42 173.24 11.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 61.65 40.34 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -80.01 -179.74 7.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 175.11 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.0 12.54 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.401 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -105.18 -39.2 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.43 129.34 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -109.86 154.56 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.33 -51.2 6.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.94 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -52.56 -47.86 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.7 mm -69.49 -38.06 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -52.3 -61.85 2.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -64.58 -40.94 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.8 mt -65.04 -14.41 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -124.56 0.88 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.56 -53.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.447 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 8.4 mm-40 -49.67 -25.44 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.419 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 1.0 OUTLIER -53.56 -33.57 55.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.9 -76.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.71 123.28 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.158 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 60.6 tp -132.05 115.32 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.42 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 155.1 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.75 97.35 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.45 123.47 31.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.6 p -87.02 142.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.18 129.56 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -124.87 130.78 53.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -59.1 -175.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 t -117.52 -24.01 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.71 24.05 4.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -143.87 142.23 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 115.1 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -28.92 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.77 33.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -157.85 146.94 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.163 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.51 154.73 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -131.5 125.55 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.66 140.49 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -114.38 141.39 47.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -113.0 149.46 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.03 -15.71 57.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -141.24 175.08 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -91.57 -35.76 14.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.37 -48.87 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -66.58 -42.95 86.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.46 -60.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.09 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -57.42 -74.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.23 -21.76 62.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.113 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.8 ttm -61.75 -64.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -70.59 -20.7 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -79.61 -26.17 41.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.48 -5.0 15.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.1 108.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.97 17.2 43.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -96.79 147.23 32.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 157.75 59.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.611 2.208 . . . . 0.0 112.355 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -136.93 83.79 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 t70 73.62 6.52 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.07 34.43 0.68 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.401 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -164.26 116.93 0.99 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 137.95 36.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.78 160.23 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -129.62 120.99 26.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.92 137.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -125.51 138.52 53.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 20.4 tp -81.43 125.99 31.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.29 136.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.97 107.77 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -168.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.42 -6.54 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.8 pp -117.11 22.02 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.78 40.76 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.68 177.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -137.06 45.76 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -110.35 74.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -82.48 167.96 17.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -117.94 165.11 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -106.09 27.63 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -55.69 151.73 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 CA-C-O 121.423 0.457 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.03 37.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.37 104.99 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.35 145.1 14.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 11.6 m -60.58 -178.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.606 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -93.29 -18.93 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.606 ' C ' ' O ' ' B' ' 105' ' ' TRP . 62.4 m -18.48 109.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 65.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.11 149.11 52.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -45.23 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.26 115.27 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 115.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -166.1 67.23 1.06 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 172.09 13.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -140.79 94.22 2.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 29.8 p -51.81 164.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -140.56 160.84 57.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 175.18 8.38 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.748 2.298 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -145.28 150.11 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -126.27 119.65 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -149.15 106.89 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.65 148.84 20.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.49 2.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.412 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' B' ' 124' ' ' VAL . 0.0 OUTLIER -162.01 132.86 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' B' ' 123' ' ' LYS . 28.7 m 35.18 46.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.99 172.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.38 146.73 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 29.5 tp -109.73 109.8 20.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.7 156.86 2.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.73 23.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.729 2.286 . . . . 0.0 112.309 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 167.81 23.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.265 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.16 42.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.757 2.304 . . . . 0.0 112.323 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 7.1 t -115.78 153.26 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -104.3 129.56 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -162.56 169.0 20.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.96 71.09 1.38 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.56 0.695 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.18 34.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -86.25 131.58 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.4 mmm . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 55.54 49.1 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 m -74.15 165.58 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.89 179.35 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.1 p -138.79 -179.48 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.57 -165.3 11.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.93 -151.87 5.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -139.88 168.97 18.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -140.21 166.84 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.2 ttm -163.08 168.23 21.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.46 72.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -111.92 147.33 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.12 160.68 25.68 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -37.4 9.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -172.17 110.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -27.29 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -94.04 174.8 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -137.43 -173.55 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -143.33 -176.41 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -160.64 124.16 3.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.98 168.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -142.37 175.48 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -67.74 -175.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -162.12 145.9 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.34 -173.98 13.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.4 m -147.89 169.33 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.64 -155.55 9.72 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.414 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 147.99 155.08 6.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.28 159.43 9.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.543 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -63.79 -174.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.73 -11.29 2.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -56.32 142.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.19 -79.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t -121.9 -22.81 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.0 173.09 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.87 159.7 36.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.71 150.09 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -134.97 112.44 10.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.19 120.05 38.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.4 126.16 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.78 167.03 11.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.23 53.49 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.15 179.02 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.71 172.0 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.02 9.99 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.2 -40.88 2.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.08 119.55 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.17 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -98.88 148.61 23.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.7 -40.55 4.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.5 72.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -53.52 -44.03 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.2 mm -71.03 -35.49 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.464 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 12.4 tp60 -57.91 -51.42 69.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.74 -34.43 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.71 -13.39 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -119.74 -7.17 10.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -100.99 -49.58 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 48.9 mm-40 -49.46 -26.33 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -54.88 -30.22 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.02 -78.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.39 121.63 26.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.772 0.32 . . . . 0.0 111.091 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 96' ' ' ALA . 64.3 tp -134.14 120.45 20.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 155.91 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.83 101.5 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.55 126.15 30.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 3.4 p -84.09 142.96 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -75.52 130.48 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.17 137.6 54.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.39 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -93.36 18.69 9.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -116.9 -25.64 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.66 23.49 3.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -136.37 138.62 41.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.4 t -60.07 115.47 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.33 -28.83 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.37 29.4 0.92 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.4 m -161.32 146.24 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 106' ' ' VAL . . . -132.55 157.08 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -122.18 135.98 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 61.8 t -143.23 142.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.23 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -125.59 126.86 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -105.82 149.58 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -82.1 -11.91 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -142.01 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -91.91 -36.68 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.98 -50.5 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -41.89 96.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.8 -33.94 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 53.1 mmtt -61.13 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.78 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.4 ttp -63.7 -63.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -65.53 -22.29 66.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -82.71 -24.42 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -111.71 8.08 20.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -75.45 109.33 8.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.47 14.61 55.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.15 146.27 31.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.8 Cg_endo -69.74 158.6 56.44 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -136.19 82.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.1 t0 74.73 5.86 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.46 33.49 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.58 117.48 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.4 Cg_endo -69.7 137.93 36.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.06 157.64 45.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.74 120.23 24.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.35 139.27 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -130.68 136.81 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.5 tp -75.63 127.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.1 136.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -72.91 140.16 47.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.57 -168.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -1.68 41.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -113.41 21.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.187 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 38.2 p30 -86.86 50.53 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.813 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -173.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -124.53 58.04 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -145.78 168.96 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -118.83 -49.88 2.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -69.38 85.29 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -116.21 -26.73 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -66.01 113.85 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 121.393 0.44 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.8 21.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.06 135.31 54.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.91 91.62 0.65 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -132.83 124.15 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.808 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.0 m -65.05 144.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.556 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -59.79 -19.98 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.556 ' C ' ' O ' ' B' ' 105' ' ' TRP . 60.0 p -23.86 110.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -139.22 74.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.62 149.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -42.13 -89.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.89 115.69 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.82 110.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 157.75 23.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.2 p -135.76 170.97 15.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 5.8 t 57.68 25.85 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 27.7 t -114.46 73.3 2.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 172.71 12.06 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.39 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -52.91 143.13 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -74.82 -172.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -103.55 65.97 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.76 110.52 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.56 -116.52 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.551 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -163.17 143.01 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.19 142.84 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 60.32 46.16 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -62.19 115.96 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.34 128.74 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -173.14 72.18 0.39 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 167.76 23.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.77 23.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 153.5 68.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.1 p -141.9 123.27 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.65 142.71 50.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.35 38.61 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -169.28 71.17 0.7 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.22 56.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -97.41 143.77 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.669 0.271 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.95 -175.91 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -171.16 122.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -172.75 157.66 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -165.41 154.27 12.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.62 150.96 5.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.47 146.0 6.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -172.53 146.61 1.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.698 0.285 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.29 178.4 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -173.49 175.41 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.26 73.03 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -101.64 139.3 37.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.65 160.13 37.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 110.806 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -24.92 28.7 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.32 48.45 7.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -77.56 141.02 39.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.93 176.47 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.51 120.85 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -162.41 157.49 22.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -165.13 98.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.32 170.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.82 171.86 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -153.04 155.02 36.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -127.07 -59.06 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.27 168.63 24.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 39.5 m -97.59 -70.28 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.06 161.35 10.03 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.35 160.81 25.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.37 113.72 3.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -151.39 171.18 17.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.98 49.49 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -70.6 143.62 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.143 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.42 -79.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.27 -19.5 7.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.82 -177.25 21.47 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.29 159.03 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -98.44 147.9 24.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -134.11 110.47 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tp -98.0 116.32 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.811 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.5 t -95.56 130.97 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.253 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.2 m -123.13 168.38 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 t30 60.22 49.45 7.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -88.77 178.85 6.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -119.06 166.73 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.2 6.88 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.05 -41.88 2.53 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.406 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.7 m -63.02 126.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.5 p -108.33 156.25 19.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.38 -55.15 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.57 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -53.1 -45.73 68.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.83 -38.03 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -54.61 -54.37 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -68.55 -40.97 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.8 mt -68.12 -12.51 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -123.07 -1.58 8.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.505 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.73 -52.98 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.43 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 36.1 mm-40 -48.42 -25.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -43.74 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 118.36 20.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.505 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 41.3 tp -128.05 124.41 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -71.81 -43.67 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.61 151.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 106.01 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.033 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.81 119.79 19.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.5 p -84.01 144.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -79.04 126.36 30.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -118.36 141.4 48.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -172.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -93.59 17.99 10.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.39 -26.66 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.84 22.79 3.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -134.61 138.19 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 113.41 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.55 -29.84 18.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 32.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.4 m -161.32 145.97 13.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.94 158.01 45.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -130.17 126.85 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.438 HG21 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.46 141.32 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -117.62 139.13 51.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -109.34 152.81 24.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.77 -17.0 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.46 173.71 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.02 -37.86 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.12 -48.5 61.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.88 -40.41 97.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.0 -61.23 2.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.8 -32.06 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -60.82 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.04 -24.09 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.9 ttp -63.92 -53.23 53.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -76.22 -20.28 57.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -85.06 -20.5 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -113.5 -10.86 13.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -52.04 108.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 57.87 18.73 33.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.75 143.17 25.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.4 Cg_endo -69.93 158.43 56.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.45 74.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 t70 69.75 13.83 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.5 36.36 0.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.59 109.31 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.3 Cg_endo -69.7 136.64 33.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.625 2.216 . . . . 0.0 112.274 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.95 160.27 38.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.32 121.45 23.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.2 138.54 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -126.42 138.52 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.2 tp -83.96 126.36 32.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.27 135.95 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.16 122.87 23.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.0 p -81.23 -179.98 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.808 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.49 -20.14 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 2.7 pp -90.58 -6.02 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.156 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -93.98 40.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -102.04 177.95 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -95.96 24.73 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -130.83 179.76 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 63.16 57.33 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -76.31 -177.42 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -108.09 38.56 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -135.83 96.79 3.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 121.393 0.44 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 160.45 49.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.357 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.3 mp -121.28 153.86 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.82 88.78 1.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.87 129.61 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 110.846 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 21.0 m -95.2 146.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.49 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -67.21 -19.39 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.966 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.49 ' C ' ' O ' ' B' ' 105' ' ' TRP . 50.1 p -29.64 110.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.18 56.78 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.36 148.9 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -43.95 -90.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.86 116.37 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -173.98 153.07 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.91 142.12 15.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 152.03 69.7 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 60.5 m -63.21 175.12 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -125.05 105.3 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.87 160.17 4.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.252 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -131.38 -68.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -55.7 105.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -165.11 159.49 17.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.9 147.96 17.73 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -175.83 -153.81 10.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.8 126.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.1 m -150.61 -179.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.41 124.79 16.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -162.15 155.8 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 175.69 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.62 157.53 78.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.491 0.663 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.8 23.43 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.604 2.203 . . . . 0.0 112.402 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.8 167.68 23.79 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 131.04 20.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 15.4 t -91.18 164.25 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -131.02 154.09 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.4 -178.99 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.45 157.55 65.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.476 0.655 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.86 137.68 35.75 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.648 2.232 . . . . 0.0 112.293 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.88 152.19 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.71 -39.62 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.36 112.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -122.55 124.43 43.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -150.54 169.17 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -157.62 7.23 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 172.23 28.76 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.569 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -141.71 164.55 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -166.55 157.57 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -171.92 153.2 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.2 66.37 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -107.03 147.46 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.51 160.6 13.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -26.09 27.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.216 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.76 100.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 173.29 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.78 162.92 13.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.27 137.38 32.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -174.13 158.15 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -167.08 115.28 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 173.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -174.61 147.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.47 146.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -146.19 -176.8 5.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.99 110.85 0.24 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.29 163.13 16.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.22 -144.98 9.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.545 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.01 -161.96 16.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.47 -120.36 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -179.85 162.71 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 168.1 60.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.417 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -66.21 138.5 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.73 -79.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.59 -21.96 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.48 -176.74 22.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.81 156.27 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 147.17 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.9 tp -129.86 106.15 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -92.91 111.92 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.9 t -91.67 142.44 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.234 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 m -136.46 171.05 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.0 t30 57.25 46.86 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.03 176.52 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -113.97 166.71 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.51 7.57 14.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.59 -41.61 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.0 m -63.34 123.89 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -105.34 155.38 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.5 -41.54 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.62 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.91 -43.41 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mm -70.99 -38.87 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.469 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.1 OUTLIER -54.41 -52.11 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -71.3 -37.92 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.67 -11.92 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -121.98 -6.41 8.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -102.2 -50.92 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.426 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 28.2 mm-40 -47.82 -27.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.25 -38.28 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 166.72 -77.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.595 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.74 120.3 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 65.5 tp -131.74 123.53 27.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -71.23 -43.07 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.35 158.26 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.22 98.08 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.16 120.44 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.6 p -82.25 143.89 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -78.68 130.39 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.05 130.33 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.22 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -94.58 27.63 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -118.83 -30.82 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.14 28.98 1.27 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -153.65 155.02 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -64.99 110.74 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.5 -25.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.58 35.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -162.14 147.11 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.1 155.95 48.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -124.37 132.78 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 21.7 t -142.98 142.76 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -124.09 134.09 53.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -113.77 150.25 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -82.33 -15.07 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.23 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.3 ttm-85 -91.37 -37.74 13.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.81 -48.93 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.24 -41.95 99.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.11 -61.92 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -54.36 -31.98 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.5 mmpt? -62.07 -76.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.02 -22.72 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 13.2 ttp -65.93 -55.35 17.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -72.93 -19.13 61.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -87.16 -23.15 24.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.4 m-30 -110.79 -4.99 15.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 108.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.87 36.47 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -99.58 146.63 32.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.705 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.88 161.95 44.01 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.559 2.173 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -136.12 75.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 70.91 14.31 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.69 36.85 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.09 112.0 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.406 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.2 Cg_endo -69.62 138.88 39.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.35 158.02 45.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.13 118.83 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.46 138.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -126.15 138.03 53.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.9 tp -81.65 129.18 34.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 40.7 t -127.03 132.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.03 103.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -177.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.01 -7.0 50.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.12 21.06 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 40.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.61 177.29 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.49 63.68 0.97 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -111.12 146.73 36.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -139.48 137.31 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -106.55 159.46 16.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -89.84 -26.85 20.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 147.83 51.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 121.391 0.439 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.06 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.77 105.3 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.56 104.0 1.06 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -135.41 147.88 49.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.383 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 18.5 m -74.58 141.14 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.557 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -61.57 -19.15 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.958 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.557 ' C ' ' O ' ' B' ' 105' ' ' TRP . 47.4 t -24.44 112.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -134.45 67.67 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.515 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.96 149.75 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -27.91 -84.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.38 116.8 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -140.8 13.43 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 65.37 68.16 0.72 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.661 0.743 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.06 22.57 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.638 2.225 . . . . 0.0 112.43 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 t -145.64 171.38 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 85.9 m -129.57 174.52 9.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.96 160.44 29.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -174.75 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -140.73 -172.48 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -166.97 176.5 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -143.37 165.72 26.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.0 158.3 26.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.435 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.19 29.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.424 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.69 150.22 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 85.3 t -149.72 144.06 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -149.64 175.27 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -177.12 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' B' ' 127' ' ' LEU . 0.0 OUTLIER -170.66 169.34 7.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -134.11 137.41 28.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.548 0.689 . . . . 0.0 110.971 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 167.82 23.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.628 2.219 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.61 23.91 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.793 2.329 . . . . 0.0 112.296 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 157.51 60.27 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.406 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 12.1 m -120.11 132.25 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.116 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -140.86 150.53 43.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.63 51.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -153.51 71.94 6.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 138.67 38.05 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.653 2.235 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -114.58 145.9 41.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.037 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.837 0.351 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.39 175.7 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -151.7 166.92 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.2 tpp -141.35 118.49 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -59.83 -45.99 90.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.46 145.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.537 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.51 74.0 0.15 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -144.56 120.15 10.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -147.73 135.45 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -164.23 148.07 9.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.39 67.01 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.606 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -122.26 147.54 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.54 160.05 36.17 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.93 -44.21 2.09 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.623 2.215 . . . . 0.0 112.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.85 107.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -115.96 52.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -120.02 111.17 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.31 131.55 35.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -134.11 154.22 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -166.9 99.3 0.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 169.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -128.07 161.56 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -154.14 172.94 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -175.79 163.43 2.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.5 173.32 43.76 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -130.08 -69.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 -129.26 9.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.59 144.33 13.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 158.99 123.15 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.46 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.7 159.34 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.66 71.12 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.423 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.3 p -61.15 140.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.73 -80.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.07 -19.66 7.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.38 -178.16 20.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.28 153.85 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -95.25 149.7 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tp -133.65 109.93 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 tp -97.44 112.1 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.3 t -93.65 140.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.2 m -134.18 175.39 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.0 t30 59.89 44.73 13.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -87.55 177.16 7.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.56 173.88 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 8.59 26.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -95.63 -9.34 57.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.65 164.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -135.63 150.66 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.39 -57.9 3.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.58 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -53.45 -44.02 68.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.7 mm -71.22 -36.13 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.465 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -56.55 -52.11 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.57 -33.94 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.0 mt -73.36 -12.67 60.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -121.91 -6.55 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -99.91 -48.33 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 17.2 mm-40 -50.41 -25.08 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.59 -29.76 62.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.51 -81.02 0.16 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 119.1 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.9 tp -130.04 119.32 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -65.17 -43.95 90.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 156.47 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.53 104.24 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.71 122.79 22.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.6 p -83.69 144.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -80.38 123.25 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.34 152.05 26.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -168.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 61.7 mmt-85 -95.58 29.76 2.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -131.58 -41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 135.22 37.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -152.66 142.85 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -59.48 115.85 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -24.29 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.84 30.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.0 146.12 12.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.712 0.291 . . . . 0.0 111.13 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -137.35 155.95 48.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.1 t -143.59 143.0 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -125.53 131.25 52.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -110.1 149.09 30.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.12 -14.0 58.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -142.09 176.94 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.922 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -92.78 -37.71 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.04 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.53 -48.12 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.62 -56.12 24.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -57.22 -36.3 70.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 3.5 mmtm -59.35 -72.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.13 -24.34 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.45 -53.66 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -19.74 58.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.47 -21.19 28.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -111.6 -13.56 13.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 109.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.12 18.08 40.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.406 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -98.14 146.1 30.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 54.6 Cg_endo -69.77 156.34 63.56 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -136.87 85.06 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.2 t0 75.64 5.52 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.75 31.24 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.54 118.82 1.52 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.8 Cg_endo -69.81 139.23 39.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.37 159.56 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.01 122.83 33.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.96 134.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.193 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -121.84 138.87 54.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.81 128.62 34.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.0 134.21 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.31 110.93 4.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -169.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -78.81 -5.39 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.21 22.97 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -108.36 42.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.35 177.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.33 54.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -123.2 165.29 17.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -134.7 -175.3 3.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -100.16 149.54 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -112.47 -26.49 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -70.31 150.38 46.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-O 121.325 0.403 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -12.95 34.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.598 2.199 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.95 151.22 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.023 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.29 91.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -146.33 145.83 30.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 14.3 m -62.6 -177.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.56 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -96.36 -18.63 19.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.993 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.56 ' C ' ' O ' ' B' ' 105' ' ' TRP . 81.6 p -24.53 112.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.6 62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.519 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -126.48 150.84 48.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.62 -83.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -95.64 125.64 40.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.66 164.4 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 64.1 90.09 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.634 0.73 . . . . 0.0 110.941 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.08 13.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -75.3 78.47 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 97.4 m -119.37 172.01 7.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.94 160.24 55.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 -171.09 0.43 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.43 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.06 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -157.03 177.59 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -58.73 104.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.75 150.45 22.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.07 -132.92 0.31 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.41 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.38 168.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -131.96 139.4 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.41 132.09 48.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -82.61 135.06 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.67 111.79 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -132.6 72.13 78.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 112.24 3.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 167.81 23.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.426 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 122.31 8.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.755 2.303 . . . . 0.0 112.261 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 9.8 t -91.12 143.57 26.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -134.9 130.61 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -131.84 145.29 51.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -108.26 137.5 19.91 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.8 147.44 62.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.756 2.304 . . . . 0.0 112.267 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.87 151.34 42.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.855 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.864 0.364 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.24 122.16 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m -91.12 141.01 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.99 -59.94 3.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -106.0 139.08 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.79 121.3 5.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.502 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.12 115.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.433 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -114.32 171.12 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -137.92 160.14 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -141.57 157.68 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 70.68 0.17 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -107.38 147.09 30.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.26 160.06 45.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -19.01 36.97 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.842 2.361 . . . . 0.0 112.256 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 56.73 42.14 27.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -89.31 106.46 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -132.93 136.99 46.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -111.74 43.55 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -141.54 165.73 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -144.53 91.56 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.8 170.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.01 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.43 -178.51 5.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.51 141.7 49.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -153.12 170.5 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.28 -170.69 16.96 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.4 p -166.99 -177.5 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.336 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.97 162.72 23.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.5 158.52 9.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.67 -141.51 3.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.55 164.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.38 -21.76 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -88.45 114.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.03 -79.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -15.7 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.43 174.51 27.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.4 155.56 24.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.945 0.402 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -98.86 146.17 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tp -128.34 109.48 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -100.38 109.69 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.6 t -91.37 140.31 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.7 m -133.05 174.34 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t30 61.79 41.85 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.77 175.68 9.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -128.68 174.57 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.31 13.41 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -103.4 -6.43 44.55 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -100.48 164.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -138.09 150.07 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.33 -55.92 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.74 -46.6 59.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.9 -44.55 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.7 mm -71.56 -37.46 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.474 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 4.8 mt-30 -53.38 -55.79 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.2 -38.71 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.95 -11.54 60.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -125.57 -1.44 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -103.3 -49.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.8 mm-40 -48.56 -26.35 2.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 4.0 m-85 -53.77 -31.63 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.81 -78.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.6 119.76 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.194 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 62.2 tp -130.9 111.19 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -56.27 -47.22 79.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.64 153.08 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.05 113.78 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.84 121.01 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.15 144.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.36 125.51 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -110.61 137.18 48.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -59.64 -171.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -93.16 24.03 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -119.01 -29.14 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.74 22.17 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -142.11 149.86 40.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -55.37 111.12 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.56 -23.34 10.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.3 29.24 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -162.42 146.53 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.172 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.75 152.03 50.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -118.11 134.73 54.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.1 t -144.13 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -124.3 136.06 53.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.35 148.43 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.55 -14.2 59.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -146.22 138.58 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.2 -19.71 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.13 -49.79 75.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.21 -42.07 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.06 -50.88 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.408 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -66.12 -34.96 79.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 2.6 mttt -57.56 -65.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.39 -26.87 68.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.5 ttp -58.94 -58.62 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.45 -25.23 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -77.39 -20.3 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -115.2 -6.33 12.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 108.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.2 14.74 48.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -91.59 143.15 27.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.7 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.92 157.52 59.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.11 82.0 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 74.03 7.68 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.57 30.35 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.424 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -158.94 116.62 1.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.68 138.52 38.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 2.228 . . . . 0.0 112.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.65 155.59 49.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.45 138.94 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -127.47 135.74 50.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.5 tp -77.23 133.81 38.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.7 135.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.91 123.5 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.4 p -78.86 -174.45 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.435 ' NE2' ' H ' ' A' ' 153' ' ' GLN . 1.5 pm0 -98.72 -5.7 30.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -113.16 15.88 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -108.63 40.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.01 177.43 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.35 44.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -122.16 117.16 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -158.11 158.99 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -95.93 135.76 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -114.17 37.91 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -83.79 89.0 7.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.779 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.347 0.415 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -24.68 29.39 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.293 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.96 153.73 19.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.05 95.34 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.423 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 45.9 p -154.15 147.13 24.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.3 m -59.25 -177.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.558 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -96.91 -19.76 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.558 ' C ' ' O ' ' B' ' 105' ' ' TRP . 98.3 p -23.08 112.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -144.82 77.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.2 OUTLIER -133.54 148.87 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.95 -82.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.419 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -78.34 121.2 24.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.13 116.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.21 154.11 4.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.481 0.657 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 159.11 54.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.99 156.2 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 8.0 p -157.42 144.83 18.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 8.8 t -173.35 75.4 0.39 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.696 0.76 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 167.98 22.75 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.41 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -138.0 -172.49 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -57.24 149.82 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -157.91 164.0 37.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.16 128.25 4.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.561 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.77 -170.51 17.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.44 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 92.9 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.51 144.66 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.98 178.43 6.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.25 165.02 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 38.0 tp -143.03 134.12 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.99 157.43 17.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 167.67 23.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.774 2.316 . . . . 0.0 112.412 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.81 23.44 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.586 2.191 . . . . 0.0 112.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 127.6 14.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.23 120.92 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 148.0 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.28 126.31 28.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.89 69.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.462 0.648 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.76 40.85 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.31 145.23 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.794 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.892 0.377 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.1 143.54 50.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -175.64 131.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 ttt -169.32 137.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.6 p -145.63 166.93 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.84 134.82 1.95 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.65 -147.71 10.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.387 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -172.25 155.42 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -154.34 173.87 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mtt -150.34 159.29 44.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.39 70.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.66 147.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.25 160.61 30.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -26.33 27.35 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.89 48.12 22.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.43 107.3 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -131.7 145.15 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -177.6 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -152.65 168.92 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.14 72.07 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -57.15 157.67 5.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.98 168.22 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -171.04 176.87 3.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -166.55 172.99 10.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.64 176.24 47.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 p -140.35 -173.68 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.76 -143.78 8.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.479 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.35 108.2 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.52 -160.99 10.02 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -107.55 -173.67 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.64 -90.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.16 143.48 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.84 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 t -120.35 -24.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.21 176.87 25.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.98 36.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.385 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.37 143.48 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -131.37 113.25 13.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tp -102.08 116.04 31.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.793 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.7 t -90.46 134.13 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -126.98 167.81 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.4 t30 61.7 43.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -84.74 178.17 7.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.73 174.11 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.88 11.7 12.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.13 -41.08 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 m -63.56 125.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -107.72 156.54 18.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.72 -40.09 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.9 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.3 mm -71.79 -40.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -52.7 -53.32 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.14 -41.66 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.2 mt -68.15 -11.02 58.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -120.99 -8.52 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -100.62 -52.75 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.415 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.9 mm-40 -47.19 -27.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.35 -40.64 65.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.64 -76.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 120.45 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD11 HG21 ' A' ' 120' ' ' VAL . 67.7 tp -131.87 125.53 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 121' ' ' HIS . 5.1 mtmm -70.76 -48.58 53.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.83 133.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.956 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -121.78 106.86 11.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.98 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.0 p -83.63 144.54 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -78.92 130.3 35.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.86 134.37 54.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.63 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.12 22.0 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -115.67 -21.91 9.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 21.14 6.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -139.07 152.25 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 119.02 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -26.16 59.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.8 29.49 1.04 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.45 146.1 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.71 157.65 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -128.98 131.6 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.483 HG21 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.58 140.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.409 ' HB2' ' HB2' ' A' ' 102' ' ' LYS . 35.2 m170 -111.26 140.71 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -116.79 147.3 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -83.19 -15.15 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 170.5 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.808 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -90.47 -36.2 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.07 -49.11 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -64.02 -42.01 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.47 -60.92 2.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.033 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.3 -33.32 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.6 mmpt? -60.9 -74.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.8 -23.54 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.2 ttp -63.89 -56.02 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -75.95 -15.77 60.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -88.5 -20.93 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -112.29 -17.79 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.013 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -53.02 110.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.92 15.24 55.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.37 141.65 23.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.65 52.62 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.215 . . . . 0.0 112.377 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.41 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 69.53 13.87 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.6 36.67 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.65 110.64 0.6 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.68 31.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.29 158.48 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.18 138.71 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -123.11 137.29 54.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.004 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.2 tp -81.89 125.65 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.17 135.0 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.29 106.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -176.36 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.04 -12.15 59.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.4 pp -113.69 22.43 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.19 31.91 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.89 -179.04 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.795 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 58.79 45.4 15.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -50.68 117.07 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -166.28 170.45 13.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -118.04 83.89 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -116.06 33.45 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.79 170.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 CA-C-O 121.481 0.489 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 128.06 15.43 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -108.78 150.58 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.33 88.37 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.395 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 2.6 m -151.52 149.04 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.87 0.367 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.16 164.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.58 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -81.39 -19.39 42.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.58 ' C ' ' O ' ' B' ' 105' ' ' TRP . 96.2 p -22.71 107.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -126.92 48.13 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.72 148.77 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -46.41 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.59 116.42 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -174.33 110.58 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -160.28 69.6 2.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 172.05 13.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 62.8 m -89.63 -73.34 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 15.2 p -163.17 -175.41 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.72 160.64 25.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.62 2.214 . . . . 0.0 112.295 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -119.14 145.67 45.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -172.16 129.79 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -163.9 107.13 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.62 139.69 8.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 155.99 173.12 24.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -174.97 139.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -146.45 147.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.95 155.22 1.98 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -160.79 108.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.36 169.05 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.47 160.5 34.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 167.77 23.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.75 23.62 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.752 2.302 . . . . 0.0 112.4 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 157.33 60.72 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.27 162.51 30.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -133.99 157.97 44.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -111.24 24.47 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 64.51 153.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 162.89 40.36 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.634 2.222 . . . . 0.0 112.419 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.2 139.95 32.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.735 0.303 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.34 150.65 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.063 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 t -115.25 91.49 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mmt -98.7 114.39 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -159.23 134.63 8.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.82 142.15 3.36 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.53 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.57 105.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -142.53 135.05 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -148.18 140.91 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.9 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.08 92.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -106.98 140.23 40.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.12 160.49 60.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.66 -31.63 20.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.744 2.296 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.06 17.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -89.35 82.35 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -126.79 129.2 47.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -147.69 159.8 43.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -159.61 167.71 27.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -163.97 96.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.85 168.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -125.95 139.07 53.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -174.69 169.2 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -141.04 150.18 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -162.94 23.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 p -154.59 131.63 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.98 164.89 31.51 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.73 155.63 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.79 161.19 18.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.566 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -143.69 179.57 7.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.96 18.41 5.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -75.93 134.2 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.54 -79.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.17 -22.43 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.32 -176.9 23.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.28 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 142.62 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.2 tp -126.4 108.81 11.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.16 109.29 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.8 t -91.81 141.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 171.89 13.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.7 37.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.43 179.53 7.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.52 164.13 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.88 2.1 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.91 -36.82 6.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -70.84 125.96 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.7 p -103.39 154.19 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -56.14 3.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.06 -46.51 61.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.26 -47.92 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.0 mm -69.58 -39.9 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' ALA . 7.2 mt-30 -52.02 -61.61 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.31 -41.74 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.6 mt -64.47 -14.61 57.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -125.28 2.33 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.3 -53.26 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.472 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 25.8 mm-40 -48.98 -25.92 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.426 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 1.1 m-85 -52.52 -33.0 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.35 -75.51 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 122.67 31.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 37.3 tp -133.7 118.82 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.5 -46.59 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? -172.26 153.27 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.49 108.41 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -141.17 127.71 20.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.4 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 41.7 t -76.24 144.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.32 98.51 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.75 141.82 28.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -66.63 -167.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -90.23 18.16 6.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -116.42 -42.69 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.98 36.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -154.77 136.36 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.4 t -51.49 110.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -20.8 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.22 33.96 0.56 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -160.6 146.59 15.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 106' ' ' VAL . . . -132.53 153.36 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -129.12 124.19 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.15 139.78 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -114.57 144.55 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -116.01 150.25 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.04 -18.68 49.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -138.22 173.74 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -91.72 -35.71 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.2 -50.14 50.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.52 -43.48 80.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.59 -58.26 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.06 -33.78 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.438 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.3 mtmt -58.1 -73.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.16 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 1.8 ttp -59.96 -63.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.78 -19.13 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -81.88 -21.92 37.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -117.43 3.0 12.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 108.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.12 16.22 47.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -94.85 148.74 35.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.2 Cg_endo -69.76 158.71 56.01 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -138.71 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.17 6.51 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.02 33.83 0.77 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.39 118.46 1.13 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.73 139.18 39.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.618 2.212 . . . . 0.0 112.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.84 154.65 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.44 116.02 22.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.94 125.11 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -116.0 139.01 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.9 tt -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 68.7 t -128.05 135.86 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -77.94 124.59 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.62 -168.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.8 -8.57 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -118.61 23.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.082 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.61 36.18 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -51.03 169.02 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.761 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -121.9 93.17 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -148.56 169.63 19.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -139.38 178.22 7.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -115.92 166.11 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -115.93 -26.77 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -131.48 177.13 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 73.8 t60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 121.457 0.476 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -41.15 4.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.577 2.185 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 49.3 mt -106.96 126.3 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -144.23 134.92 5.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 74.3 m -91.08 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.811 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 12.4 m -64.68 164.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -76.01 -20.82 57.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 105' ' ' TRP . 51.8 p -28.9 112.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -143.21 80.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.2 OUTLIER -133.15 149.59 52.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.82 -85.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.29 116.08 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -166.13 107.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.44 68.31 10.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.12 15.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.638 2.225 . . . . 0.0 112.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.5 m -128.08 108.11 10.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.27 151.92 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.96 160.15 30.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.659 0.743 . . . . 0.0 110.893 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.83 177.0 6.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.218 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -175.37 123.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -150.41 179.45 8.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -150.71 164.2 36.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.74 157.77 30.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.545 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 164.52 64.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.402 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -73.77 129.37 37.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.2 148.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 54.94 35.49 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -61.11 123.23 17.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.39 161.54 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -83.08 137.37 43.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 167.79 23.34 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.585 2.19 . . . . 0.0 112.374 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.86 167.8 23.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.84 18.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 14.6 t -99.53 154.29 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 123.27 24.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.97 163.9 12.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -54.99 160.29 3.14 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.94 52.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -119.72 146.29 45.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.6 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.6 149.4 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -156.5 118.1 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.83 161.49 31.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -111.08 -65.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.73 161.64 37.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.38 152.86 7.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -149.57 171.81 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -174.35 154.48 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.25 175.94 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.31 127.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.493 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.18 144.51 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.28 153.94 8.96 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.7 0.762 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -11.44 30.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.746 2.298 . . . . 0.0 112.334 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -87.4 53.27 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -67.88 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -136.26 179.62 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.98 151.95 24.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -161.14 162.12 31.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.31 115.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 159.99 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -176.99 -179.81 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 54.7 56.33 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -120.97 153.71 36.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.11 165.77 29.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.6 p -172.92 -177.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.92 175.1 46.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.43 -176.11 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.68 -69.62 1.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.02 166.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.48 -82.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.13 131.92 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 -79.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.88 -22.38 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.7 -173.62 24.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.55 156.47 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 146.69 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.21 107.2 9.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 tp -94.83 111.23 23.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.8 t -94.54 137.31 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -130.48 170.34 14.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.4 t30 60.71 48.23 7.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -87.21 -179.46 6.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.85 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.12 10.93 12.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.69 -39.86 2.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.6 m -64.18 127.4 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 p -106.11 152.2 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.61 -58.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.11 63.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.42 -45.89 69.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.7 mm -68.1 -37.86 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -56.73 -51.73 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -68.16 -37.0 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -75.99 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -123.8 0.96 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -109.25 -47.27 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.435 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 27.2 mm-40 -46.97 -28.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -55.43 -45.99 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.97 -65.19 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 152.58 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.126 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.1 tt -151.7 111.12 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.89 -50.4 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.09 117.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -114.8 102.79 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.98 122.9 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.81 144.61 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -76.98 129.11 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.46 129.16 52.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -94.78 26.64 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.25 -27.66 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.84 19.58 3.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -143.69 161.81 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.29 112.26 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -23.92 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.89 36.41 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -161.8 147.22 13.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.99 149.38 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -128.32 121.28 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -140.52 143.98 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -120.3 139.82 52.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -110.72 154.0 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -84.83 -10.66 56.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -143.7 174.57 10.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.29 -37.46 12.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.31 -51.25 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.95 -44.87 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.88 -59.35 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -53.89 -35.48 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.468 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -61.17 -76.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.53 -24.42 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.8 ttp -62.59 -63.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -71.04 -13.53 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.49 -20.86 23.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 17.8 m-30 -112.64 -13.98 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -52.57 110.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.89 18.33 56.77 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.24 148.03 35.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.93 158.67 55.96 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -135.94 80.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.6 t0 74.39 6.34 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 127.12 33.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -164.31 116.7 0.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.963 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.4 40.08 Favored 'Trans proline' 0 C--N 1.34 0.098 0 C-N-CA 122.685 2.257 . . . . 0.0 112.201 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.81 162.42 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.16 124.53 32.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.36 133.86 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -123.65 136.97 54.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 12.4 tp -78.89 126.82 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.03 136.02 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.99 127.85 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.38 -169.05 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.784 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -76.71 -4.9 45.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.5 pp -116.61 21.38 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.05 23.45 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.88 165.22 23.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -79.68 68.78 5.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -90.77 175.79 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -112.22 168.44 9.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.42 172.73 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -116.07 26.34 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 57.65 52.23 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.6 p80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.213 0 CA-C-O 121.36 0.422 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -38.47 7.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -76.24 152.32 36.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.46 88.15 0.62 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -154.75 154.78 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.801 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 5.5 m -57.13 -178.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -91.77 -18.2 24.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.485 ' C ' ' O ' ' B' ' 105' ' ' TRP . 78.0 p -30.78 110.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -130.19 31.88 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.2 OUTLIER -87.68 150.93 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -32.62 -83.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.443 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -96.65 122.25 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.416 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -162.47 171.25 17.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -174.66 137.51 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 172.03 13.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.432 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.14 17.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 p -150.66 -175.94 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 52.2 m -147.28 73.89 11.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.701 0.762 . . . . 0.0 110.937 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -172.25 0.56 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.611 2.207 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -106.42 -176.19 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -140.8 150.44 43.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -125.62 165.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.84 158.76 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -102.09 -150.24 22.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -168.31 140.76 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.41 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 66.2 t -127.74 126.75 67.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.7 177.72 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -142.68 153.21 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 pp -124.59 168.21 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -162.33 157.5 19.46 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.498 0.666 . . . . 0.0 111.029 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 167.78 23.61 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 167.7 23.58 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.78 2.32 . . . . 0.0 112.406 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 129.72 17.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 13.1 m -119.07 134.7 55.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -107.03 106.04 16.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.45 101.99 13.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -60.74 136.32 92.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.687 0.756 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 168.74 20.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.619 2.213 . . . . 0.0 112.393 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -107.73 128.98 55.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.68 170.38 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t -166.8 143.25 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.67 143.53 24.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 t -146.75 165.58 29.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.65 -168.47 18.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.49 -117.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.388 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 56.69 53.02 8.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.23 124.79 24.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.5 mtt -157.99 179.53 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.76 -102.73 0.16 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -127.58 147.69 50.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.95 160.56 5.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.421 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 54.4 Cg_endo -69.64 -85.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.775 2.317 . . . . 0.0 112.286 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' H ' ' HG2' ' A' ' 53' ' ' PRO . 5.5 t70 -174.95 112.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 164.5 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -64.82 164.15 12.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -159.99 161.93 34.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -151.39 142.26 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -164.19 116.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 170.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -108.37 144.31 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -154.24 171.79 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -162.58 175.8 11.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.08 109.08 2.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.2 m -146.64 172.48 13.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.03 170.87 43.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.99 -162.76 11.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.0 138.31 9.05 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.546 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -174.38 178.34 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.61 51.78 0.46 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.398 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.2 136.32 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.04 -79.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.46 -18.35 7.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.52 -179.36 18.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.44 159.9 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -100.77 148.27 25.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tp -131.96 107.09 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.47 110.39 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.2 t -92.6 142.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.201 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.7 m -135.85 171.55 14.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.9 t30 60.66 43.43 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -83.23 179.38 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.78 174.39 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.27 11.39 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.98 -10.27 26.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -101.06 124.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 p -106.38 156.14 18.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -42.28 -46.04 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.37 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.11 -43.96 67.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.3 mm -70.12 -41.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 96' ' ' ALA . 2.4 mt-30 -52.24 -57.76 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.71 -40.21 91.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.2 mt -69.43 -11.37 60.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -123.25 -1.05 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -107.47 -50.56 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 40.8 mm-40 -48.43 -26.55 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.55 -48.03 66.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.88 -75.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.84 119.63 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.512 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 44.7 tp -129.54 129.67 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -48.01 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 134.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.0 106.77 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.076 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.25 120.13 26.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -81.55 144.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -79.29 129.27 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -120.15 135.62 54.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -58.22 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -92.21 38.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -136.03 -38.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.96 28.87 0.64 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -144.47 153.2 41.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.0 107.13 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -25.42 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.69 35.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.06 147.18 12.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -132.86 152.06 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -129.66 122.23 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.2 p -142.77 143.0 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -119.77 140.79 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -110.41 151.79 27.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -78.89 -16.16 57.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -139.53 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -93.21 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -51.05 -51.83 49.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.82 -52.98 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.409 ' O ' ' CB ' ' A' ' 132' ' ' MET . . . -53.1 -50.71 63.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -56.62 -37.07 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.487 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -62.66 -74.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.78 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.54 -25.63 27.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.065 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.409 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 8.1 ttp -63.45 -62.38 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -70.61 -13.38 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -90.78 -20.71 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -112.44 -15.23 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.09 19.17 56.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -104.23 147.75 34.84 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.68 0.752 . . . . 0.0 111.037 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 158.51 56.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -137.13 81.99 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 t0 74.65 6.16 4.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.09 33.7 0.67 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.87 117.27 1.04 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 110.928 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.83 38.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.249 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.23 159.43 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.88 121.67 30.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.02 133.63 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -122.4 137.33 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.8 tp -81.91 128.83 34.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.9 t -127.01 135.89 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.7 115.98 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -168.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.813 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -80.14 -1.73 41.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.72 21.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -93.57 25.34 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.44 165.49 1.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -120.54 86.43 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -148.91 108.02 3.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.764 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -66.09 128.19 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -72.92 164.36 26.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -115.23 -25.99 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -52.39 152.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 121.319 0.399 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -44.11 2.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.197 . . . . 0.0 112.346 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.37 126.86 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.07 106.53 2.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.1 t -151.59 131.79 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 3.9 m -55.11 177.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.577 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -84.47 -19.45 33.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.577 ' C ' ' O ' ' B' ' 105' ' ' TRP . 61.2 m -22.35 112.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -134.06 66.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.496 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.41 151.33 51.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.41 -83.68 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.475 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -103.14 125.52 49.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.41 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -167.38 167.24 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 179.32 157.86 0.7 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.531 0.682 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 171.48 14.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.61 2.207 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -131.41 -74.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 1.8 m -121.53 137.53 54.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 34.6 p -119.2 73.11 13.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.688 0.756 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -175.56 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -142.63 153.01 43.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . 0.419 ' HE ' ' N ' ' B' ' 120' ' ' HIS . 0.0 OUTLIER -143.55 108.15 4.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.419 ' N ' ' HE ' ' B' ' 119' ' ' ARG . 57.4 t60 -77.48 138.97 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.9 158.58 27.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -156.34 170.67 33.97 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.436 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.87 -173.46 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.009 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 p -172.35 151.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.99 167.77 24.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -145.08 157.67 44.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 20.5 tp -163.62 117.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -175.52 73.61 0.28 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.965 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.81 167.7 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.265 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.64 23.77 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.749 2.299 . . . . 0.0 112.298 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 157.56 60.08 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.687 2.258 . . . . 0.0 112.422 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 8.5 t -113.25 149.04 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -136.29 157.86 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.69 -174.24 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -124.99 71.86 62.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 131.96 22.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.644 2.229 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.84 114.48 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.71 0.29 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.92 51.44 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 p -119.49 121.56 39.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -117.27 170.27 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -68.71 160.49 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.16 -93.86 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.37 -28.58 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -132.77 112.38 11.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -56.05 171.15 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.8 mtt -142.9 178.96 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.77 72.98 0.18 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -110.84 145.75 37.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -109.0 160.61 26.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.634 0.73 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -26.8 27.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.23 58.33 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -130.62 -40.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 m0 -91.51 -180.0 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -143.12 -177.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.64 -176.38 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -144.49 111.69 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.41 146.2 20.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -179.51 165.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -151.42 -175.1 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 m -154.71 -177.33 6.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.41 -156.48 21.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 t -132.97 162.28 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.02 -145.36 9.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.05 -132.59 7.19 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.438 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.55 -125.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -57.26 176.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.35 -30.97 3.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.48 142.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -77.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.34 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.53 -179.9 31.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.96 41.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.966 0.412 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -100.99 152.21 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 tp -134.9 107.79 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.43 114.07 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.98 125.43 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -116.01 168.77 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.5 t30 56.56 56.19 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -94.67 -178.85 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.24 164.86 13.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -86.01 8.78 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.95 -36.32 2.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.8 m -62.93 126.64 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.224 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -104.12 152.07 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -53.3 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.77 55.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.3 mm -68.27 -36.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -59.62 -49.76 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.0 -35.36 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.15 -12.68 60.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -119.74 1.3 11.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -111.56 -47.28 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.431 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 5.8 mm-40 -46.7 -28.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 4.4 m-85 -57.01 -44.4 82.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.6 -71.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.84 147.34 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.152 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD11 ' HB1' ' A' ' 96' ' ' ALA . 3.1 tt -142.98 111.46 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -64.86 -50.25 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.81 119.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -115.53 113.0 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.037 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.22 127.29 14.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.0 p -88.3 144.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -76.07 128.43 34.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.97 135.78 55.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -94.59 20.12 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t -118.14 -27.56 6.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.96 25.54 2.51 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -142.11 137.11 30.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -54.73 118.3 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.63 -25.31 38.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.97 28.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.52 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.8 m -158.03 146.09 18.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 111.139 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -133.65 152.43 51.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.13 132.81 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.4 143.11 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.34 135.21 55.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -111.92 156.18 22.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.61 -13.98 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -144.96 135.81 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -17.22 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.461 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -62.69 -53.22 57.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.6 -46.73 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.59 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.74 -37.69 79.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.501 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 29.2 mmtm -62.47 -72.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -54.51 -25.91 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.0 ttp -64.94 -54.9 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -75.21 -15.41 60.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -90.14 -23.32 21.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -108.74 -12.45 14.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 108.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.44 16.84 45.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.85 144.66 28.21 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.684 0.755 . . . . 0.0 111.079 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.8 Cg_endo -69.79 159.54 53.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.246 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.75 75.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.4 t70 69.99 14.93 7.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.3 37.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.64 111.89 0.48 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.6 139.31 40.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.78 158.64 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.47 121.04 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.41 138.97 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -131.4 118.89 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.1 tp -66.86 132.22 47.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.8 t -126.87 135.12 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.35 8.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.0 p -75.74 -176.07 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.13 -8.73 57.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 2.4 pp -123.79 25.53 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.53 35.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.24 163.52 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -145.94 136.34 23.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.794 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -159.73 179.72 8.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -85.28 151.88 23.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -130.39 141.98 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -115.38 37.78 3.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -52.03 114.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 CA-C-O 121.4 0.445 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 126.83 13.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.2 tt -125.1 105.22 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.43 139.1 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.416 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.89 158.51 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.823 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 6.2 m -57.79 -177.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.569 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -92.7 -20.21 21.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.569 ' C ' ' O ' ' B' ' 105' ' ' TRP . 95.9 p -23.12 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -137.38 76.55 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.505 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.63 149.49 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -29.41 -85.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.451 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.13 119.95 30.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -166.23 113.64 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.495 ' N ' ' HD2' ' B' ' 113' ' ' PRO . 20.0 ttt180 177.27 -59.27 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.707 0.765 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' B' ' 112' ' ' ARG . 54.5 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.6 2.2 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.22 169.56 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 p -160.9 110.01 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.59 74.63 0.25 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -172.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.83 162.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -170.31 118.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -52.74 150.06 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.82 158.7 27.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -139.81 -178.52 16.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.471 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 157.27 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 13.0 p -156.57 150.23 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -104.96 -174.73 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -155.77 138.94 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.973 0.416 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.86 -176.05 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -127.24 160.26 60.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.69 23.67 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.82 23.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.311 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 139.28 40.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.753 2.302 . . . . 0.0 112.361 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -130.57 154.58 47.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -111.45 156.03 22.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.923 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -126.47 164.59 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -127.63 138.59 33.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.87 17.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -124.79 136.12 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.32 133.36 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -123.12 152.88 40.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mmt -130.72 160.91 32.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.7 t -169.97 161.07 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -163.26 162.65 34.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.65 166.79 39.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -173.4 154.66 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.82 161.91 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 64.6 mtm -139.33 176.24 8.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.52 44.56 0.26 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -112.35 140.3 47.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.17 160.18 31.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.661 0.743 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 -33.81 15.18 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.602 2.201 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -163.15 105.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -60.59 167.03 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -61.83 -175.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -139.95 -176.02 4.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -159.25 174.14 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -161.82 107.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.08 170.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -132.72 151.24 52.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.08 151.41 30.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -174.54 156.8 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.3 175.89 43.48 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 83.6 m -143.56 -174.28 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.45 -176.9 30.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.07 -149.15 6.34 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.387 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 144.58 121.49 1.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.464 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -166.08 164.46 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.08 30.3 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -79.85 135.43 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.65 -79.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.96 -21.99 6.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 -174.05 24.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.78 155.88 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -95.34 147.08 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.7 tp -131.89 109.71 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.2 tp -97.62 117.07 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.1 t -97.18 130.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.49 168.27 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t30 61.5 50.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -90.56 178.81 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.74 171.27 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 10.72 11.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.24 -41.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 m -63.06 127.88 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -109.46 156.57 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.39 -55.24 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.56 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -52.84 -45.69 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.5 mm -71.12 -38.45 71.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.457 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.0 OUTLIER -53.8 -56.83 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.69 -40.16 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.0 mt -67.81 -11.97 59.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -125.53 0.6 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.12 -51.51 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 12.2 mm-40 -49.06 -25.39 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -53.93 -33.0 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.83 -78.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.15 121.13 28.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 41.8 tp -131.84 115.52 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -61.3 -46.72 89.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 153.61 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.28 110.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.07 120.83 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.8 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.65 129.06 34.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -122.96 134.61 54.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -59.6 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -96.19 27.6 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.87 -31.56 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.73 27.83 1.52 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -148.0 139.52 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.16 116.39 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -29.78 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.06 32.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.2 m -161.52 146.43 13.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.25 158.39 43.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -130.98 126.83 37.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.21 141.58 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -117.45 139.08 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -109.45 152.8 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -80.73 -15.8 55.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -140.64 175.84 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -91.78 -36.73 13.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -49.88 56.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.8 -40.89 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.02 -63.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -53.67 -33.25 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.485 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -60.26 -76.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.48 -21.85 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 10.0 ttp -64.14 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.1 -15.95 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -85.95 -25.06 26.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -108.85 -11.95 14.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.83 110.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.27 15.67 51.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -98.63 145.96 30.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.535 0.684 . . . . 0.0 111.149 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.91 158.94 55.09 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.71 83.55 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 69.95 10.42 7.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.8 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.26 39.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.64 115.53 0.46 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.956 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.62 38.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.53 160.42 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 122.31 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.67 138.58 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.162 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -128.05 138.57 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.9 tp -81.08 128.34 33.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.5 t -126.93 136.01 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.93 120.83 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.3 p -86.51 -175.05 5.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.0 -9.51 58.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 2.3 pp -119.65 25.01 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.06 36.17 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 156' ' ' LEU . 0.0 OUTLIER -51.26 169.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -114.06 119.96 38.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -60.84 130.21 45.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -104.35 -36.09 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -151.44 139.89 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -113.0 30.52 7.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -106.07 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.755 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.37 0.428 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -46.76 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.602 2.201 . . . . 0.0 112.408 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.24 143.77 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.8 108.4 3.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 25.1 p -148.22 121.66 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.39 157.6 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.172 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.578 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -74.39 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.578 ' C ' ' O ' ' B' ' 105' ' ' TRP . 74.6 m -21.83 113.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -139.48 71.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -133.53 151.24 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -30.39 -85.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.37 128.92 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -169.7 179.33 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -177.85 137.58 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.61 172.18 12.96 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.9 t -122.45 -170.6 2.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.52 -60.42 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.07 160.47 0.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.697 0.761 . . . . 0.0 110.864 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.91 -171.71 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.265 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.7 176.7 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -168.55 170.07 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -164.23 161.56 22.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.73 158.67 27.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.93 158.01 21.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.582 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.98 150.02 12.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 46.6 t -146.69 141.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.1 171.89 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -157.61 -174.78 5.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.5 pp -144.62 174.41 10.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.3 137.96 29.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.8 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.95 22.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 156.67 62.52 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 24.8 p -133.83 131.81 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 157.91 44.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -121.43 169.6 10.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -135.42 70.85 67.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.6 23.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -122.0 147.62 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.55 52.47 6.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.018 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -123.57 117.87 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.8 mtt -111.0 160.32 16.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -141.65 154.83 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.95 -157.84 17.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.438 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.93 -152.85 6.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -142.74 175.88 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -173.2 172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.6 97.11 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.5 64.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -106.1 137.24 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.52 160.1 62.28 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 -25.36 28.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.246 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 t70 53.5 51.82 14.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -79.11 123.17 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 173.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -150.61 137.8 19.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.27 164.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -167.7 111.62 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 142.62 14.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -170.9 165.14 7.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -170.97 108.84 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -174.6 115.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.777 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.46 171.98 39.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 83.5 m -144.9 -177.37 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.83 -175.73 14.15 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.4 -174.12 25.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.15 -172.18 32.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.9 24.68 12.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -112.98 22.32 16.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.2 p -67.41 142.38 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.71 -79.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 -20.9 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.64 179.67 18.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.42 159.39 37.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.72 150.25 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 tp -136.38 110.18 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 tp -95.08 115.91 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.6 t -93.72 132.45 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.9 m -126.61 169.44 13.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.4 t30 60.82 42.68 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.56 -179.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.87 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.68 10.32 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.02 -38.7 2.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.9 m -63.79 128.93 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 p -106.67 151.78 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.93 -40.51 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.45 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.19 -44.74 68.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.3 mm -69.93 -37.33 72.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.6 OUTLIER -55.7 -52.92 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.9 mt -72.75 -13.31 61.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -120.2 -7.02 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -102.3 -51.08 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 13.2 mm-40 -47.83 -27.6 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.1 -47.33 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.49 -73.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.79 118.89 17.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.8 tp -130.68 121.72 26.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -68.94 -42.72 76.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 155.04 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -149.61 105.49 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.52 124.1 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.7 p -82.48 144.81 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -83.47 130.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.96 138.8 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -59.13 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.98 25.38 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -120.47 -29.09 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.778 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.91 17.66 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.29 151.1 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -60.44 109.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -25.43 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.37 30.68 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.51 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -162.04 146.25 12.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.101 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.61 156.37 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -120.69 136.4 54.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.4 t -143.39 140.5 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.2 m170 -124.25 125.74 44.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -102.96 147.67 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.18 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.59 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -93.52 -40.99 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -50.74 -53.37 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -56.78 -49.77 74.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 132' ' ' MET . . . -54.55 -52.88 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -56.24 -35.49 67.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.459 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.58 -75.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.32 -24.14 27.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.405 ' CB ' ' O ' ' A' ' 128' ' ' ALA . 2.5 ttp -64.46 -61.65 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -72.81 -12.21 60.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -90.33 -24.49 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -108.83 -15.96 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.77 109.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.17 18.08 59.97 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.64 20.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.995 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.93 157.35 60.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.87 73.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t0 68.2 17.53 9.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.0 38.04 0.58 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.589 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.28 107.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.5 Cg_endo -69.72 135.32 30.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.57 155.57 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 117.71 22.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.45 137.59 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -126.64 139.63 53.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 3.0 tt -78.88 129.33 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.67 135.69 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.5 126.53 29.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t -88.36 -169.6 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.747 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -77.23 -8.47 57.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -119.31 24.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.51 35.25 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.76 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.6 -78.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -103.97 -172.19 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -136.48 160.66 38.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -131.39 126.85 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -130.21 69.17 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -115.56 38.15 3.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -91.41 127.12 36.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.881 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 CA-C-O 121.47 0.483 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.49 119.07 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -144.69 138.07 7.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 75.9 p -152.05 136.02 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 m -55.13 174.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.3 OUTLIER -80.51 -21.09 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.54 ' C ' ' O ' ' B' ' 105' ' ' TRP . 87.8 p -25.59 111.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -136.7 73.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.55 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.4 OUTLIER -133.49 149.2 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -24.2 -86.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.56 116.38 30.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -152.1 142.02 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -145.98 157.43 50.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.548 0.69 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 169.51 18.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -97.61 -5.38 35.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 16.7 m 58.66 51.95 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -136.64 70.13 59.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.689 0.757 . . . . 0.0 110.778 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.71 125.61 12.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.825 2.35 . . . . 0.0 112.358 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -135.15 91.98 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.95 145.75 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -73.48 118.79 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.48 158.52 24.99 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -52.79 -31.02 37.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.59 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.57 175.77 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.941 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -110.67 85.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.94 109.91 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.11 172.91 10.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 mt -113.07 108.93 18.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.87 69.08 1.01 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.96 167.83 23.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.598 2.199 . . . . 0.0 112.324 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.77 31.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 70.0 p -81.36 98.99 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -110.85 150.19 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.43 110.04 10.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -116.58 70.74 4.73 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.605 0.716 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 163.95 36.43 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -117.94 130.37 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.824 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.44 148.43 6.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 p -153.5 139.46 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.28 178.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 m -131.17 -65.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.54 175.33 40.17 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.37 132.82 2.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -147.2 159.11 44.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -174.66 133.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.8 mtp -145.26 158.85 43.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.49 86.38 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.576 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -102.72 136.04 43.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.98 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -51.62 158.56 1.5 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.635 0.731 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.14 28.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 55.56 40.21 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -90.94 -25.99 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -52.22 111.18 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -144.97 167.87 21.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -148.27 145.04 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -162.31 123.11 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 176.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -151.3 137.09 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.05 120.09 1.34 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 t -169.25 165.5 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.7 72.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.558 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 p -176.69 169.25 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.989 0.423 . . . . 0.0 110.781 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.45 161.66 9.73 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.03 177.71 36.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.437 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.47 149.52 14.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.492 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -174.23 147.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.99 82.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.31 139.76 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.316 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.01 -79.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.14 -25.08 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.238 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.43 -178.02 26.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.64 159.03 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.21 147.28 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -130.83 106.37 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.92 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -94.7 111.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.1 t -92.6 140.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 m -133.04 171.91 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.41 45.34 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -84.26 179.76 7.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.89 174.85 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.44 13.82 12.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.401 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -110.45 -10.28 22.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -101.07 120.41 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.107 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -101.54 153.88 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.64 -40.13 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.73 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.22 -42.5 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.21 -36.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.477 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 1.1 tp60 -58.53 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.55 -33.02 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.96 -12.14 59.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -119.93 -8.59 9.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -101.84 -49.4 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 15.4 mm-40 -47.28 -28.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -53.37 -40.79 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.84 -75.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.49 121.88 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.191 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.417 HD23 ' N ' ' A' ' 96' ' ' ALA . 58.7 tp -132.64 118.95 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.1 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.22 142.4 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.3 102.93 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 121.48 23.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 p -81.87 143.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -79.31 129.56 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.75 133.46 55.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -175.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -93.22 34.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -128.36 -36.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.24 31.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -152.34 156.93 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 110.13 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.89 -25.28 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.969 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.56 32.19 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -161.99 146.96 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.29 152.01 51.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -119.59 133.47 55.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 t -143.46 143.77 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -126.64 133.76 50.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -113.72 153.54 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -88.7 -14.1 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 156.94 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.856 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -78.61 -36.8 43.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.03 62.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -66.31 -44.4 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.94 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.44 -34.05 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.44 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -58.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.78 -23.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.0 ttp -62.02 -60.71 3.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -72.98 -17.66 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -85.35 -20.51 29.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -113.08 -14.35 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 111.006 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.82 110.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.8 16.64 52.32 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.54 143.6 26.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.3 Cg_endo -69.86 157.13 61.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.55 81.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.5 t70 73.91 6.58 4.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.55 33.37 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -162.86 115.11 1.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.77 137.88 36.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.55 155.2 50.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.32 121.62 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.25 136.17 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -123.8 137.99 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 14.1 tp -81.41 126.35 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.93 135.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.15 127.44 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.26 -168.47 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.784 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -74.43 -6.55 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.4 pp -117.09 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -110.99 40.22 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.17 178.09 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -81.1 58.82 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -97.33 -176.51 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -163.69 166.84 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -169.44 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -115.94 -26.85 7.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 57.41 47.45 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 121.371 0.428 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 21.7 mt -76.54 149.26 36.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.15 98.19 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -152.61 112.39 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 15.2 m -68.13 145.54 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -59.26 -21.1 59.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.509 ' C ' ' O ' ' B' ' 105' ' ' TRP . 4.8 t -28.71 112.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -145.5 77.93 1.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.547 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -131.11 151.98 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.27 -86.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -106.07 134.68 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' B' ' 111' ' ' ARG . 4.7 ptt85 -169.87 102.83 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' B' ' 111' ' ' ARG . 7.3 ptm180 37.11 75.38 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.544 0.688 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.6 112.04 2.94 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.0 p -163.31 -175.29 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 7.2 p -147.71 166.31 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.9 160.63 33.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -172.99 0.64 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.657 2.238 . . . . 0.0 112.286 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -132.22 163.09 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -126.28 131.2 51.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -110.75 136.2 50.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -108.16 146.75 16.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.415 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 137.98 173.99 13.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.67 146.07 47.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 61.8 t -119.11 98.41 6.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -94.98 152.46 18.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.69 144.19 31.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 23.4 tp -109.39 -77.14 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 55.45 75.22 0.62 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 167.68 23.83 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.608 2.206 . . . . 0.0 112.244 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.59 112.2 2.98 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.769 2.313 . . . . 0.0 112.418 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 124.92 11.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.325 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 34.3 p -81.12 130.31 34.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -125.38 130.53 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.85 88.92 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.69 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 143.45 50.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.612 2.208 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -91.26 124.25 35.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.0 149.1 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 p -174.32 120.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -136.22 128.83 30.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -148.92 148.26 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.84 134.18 2.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.73 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.06 150.85 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -174.42 137.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.2 ptp -142.47 150.07 40.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.31 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -128.62 147.24 50.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.74 158.46 1.6 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.692 0.758 . . . . 0.0 110.818 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 53.5 Cg_endo -69.73 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.787 2.325 . . . . 0.0 112.256 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.419 ' H ' ' HG2' ' A' ' 53' ' ' PRO . 0.5 OUTLIER -177.33 111.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 121.04 44.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -54.44 162.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -162.88 -178.35 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -179.85 156.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -169.44 113.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.2 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -155.15 175.6 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -118.0 -177.08 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -133.35 172.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.02 159.65 32.29 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.98 166.35 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.7 132.99 3.84 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.477 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.55 175.75 34.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.48 -103.47 1.31 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -57.11 175.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.19 -109.65 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.4 p -60.04 136.39 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.294 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.88 -79.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -125.15 -29.69 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.47 174.98 22.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.83 16.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -94.81 152.55 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 tp -139.22 108.9 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.69 134.77 40.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.1 132.79 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.29 166.5 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.2 t30 60.87 53.34 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -94.97 -178.98 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.82 169.85 17.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.51 0.31 47.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.19 -11.76 77.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -98.39 164.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 111.132 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 m -135.13 147.55 49.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -56.76 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.74 54.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.17 -36.5 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.44 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.9 OUTLIER -55.7 -52.67 63.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.84 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.0 -35.87 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.88 -11.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.53 -5.19 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -100.92 -51.04 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.46 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 18.5 mm-40 -49.88 -25.12 2.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -56.13 -31.63 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.0 -82.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.18 119.01 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 111.054 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 63.9 tp -129.03 117.69 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -41.49 87.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.69 153.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.29 109.26 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.48 126.63 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -86.54 144.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -77.4 123.75 26.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.82 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -112.84 151.01 30.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.79 -178.35 4.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -88.98 49.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -42.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.63 37.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -152.0 140.46 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 t -61.12 115.75 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.52 -26.56 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.15 29.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.574 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.4 m -161.72 146.96 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.61 160.82 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -127.72 137.36 52.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.8 t -143.38 143.8 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.239 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -125.02 126.77 45.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.54 149.66 26.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -79.12 -16.13 57.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.47 ' HG2' ' CG ' ' A' ' 127' ' ' ASP . 5.8 ptt180 -143.15 176.77 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -92.51 -30.81 15.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.27 -52.42 45.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.47 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 4.3 p30 -67.56 -34.07 76.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.16 -60.17 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.5 OUTLIER -59.68 -31.85 69.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.1 mmtt -59.87 -73.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.86 -23.78 65.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.8 ttp -63.28 -56.49 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -19.07 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.17 -24.57 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -111.31 -8.59 14.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 108.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.69 15.32 47.19 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -94.21 146.4 31.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 54.0 Cg_endo -69.83 158.82 55.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -140.69 86.93 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.1 t0 75.82 5.78 3.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.92 29.58 1.23 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 120.82 1.97 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.79 141.52 45.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.31 155.57 46.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.32 123.53 40.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.61 135.5 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -127.83 134.47 49.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 11.1 tp -74.25 132.68 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 45.0 t -127.06 135.77 62.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.32 104.69 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.2 t -66.54 -169.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -73.51 -8.46 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.09 23.87 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.9 35.78 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.93 177.93 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.84 26.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -104.74 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -111.0 164.77 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -125.37 155.86 39.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -113.16 35.06 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -83.45 156.05 23.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.962 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.45 0.472 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -23.23 31.09 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.601 2.2 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.06 152.79 20.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -112.92 110.15 2.48 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.521 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -153.75 137.87 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.782 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.5 m -60.17 -177.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.211 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -97.06 -20.66 17.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -25.91 113.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -143.86 65.5 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -118.8 149.69 41.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -34.25 -83.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.18 116.89 21.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -162.68 150.04 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -98.02 137.52 20.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.47 16.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.387 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.3 t -117.87 -176.62 3.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.39 131.54 38.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 3.5 t -171.04 74.32 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.718 0.77 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.99 -8.21 23.03 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.757 2.305 . . . . 0.0 112.279 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 51.91 56.33 7.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 -60.08 -26.79 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.07 88.12 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -120.03 154.09 16.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 160.84 140.99 3.01 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -68.94 -176.86 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.303 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.21 -74.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -148.73 175.55 11.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.65 174.32 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -120.66 73.44 23.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.7 23.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 112.31 3.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.75 2.3 . . . . 0.0 112.386 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 136.14 32.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.677 2.251 . . . . 0.0 112.468 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 3.1 m -82.12 156.48 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -67.46 150.46 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -176.89 -178.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -55.7 136.59 71.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 134.07 26.9 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.591 2.194 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.02 152.93 42.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.13 113.2 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -89.11 167.7 12.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.9 mtm -84.58 178.82 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -161.62 156.56 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.21 -158.47 16.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.23 160.26 28.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -114.82 159.34 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -140.7 150.88 44.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.4 mmt -142.51 165.35 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.06 32.33 1.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -93.44 143.53 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.63 160.51 79.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.75 -21.8 33.05 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.852 2.368 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -173.18 109.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -55.86 160.19 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -55.03 172.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -141.13 161.08 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -126.86 152.82 46.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -168.8 93.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -56.55 174.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -145.29 161.62 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -171.05 176.08 4.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -156.03 169.7 23.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.24 132.48 3.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.8 t -167.39 141.87 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.7 -140.02 4.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.83 -177.93 46.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.48 -177.03 36.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.502 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.37 159.95 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.14 60.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 p -63.57 140.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.46 -79.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -19.73 8.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.99 -178.59 19.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.16 158.94 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -95.08 155.9 16.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.8 tp -139.43 105.21 5.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -93.82 116.5 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.8 t -97.67 134.3 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 m -127.89 170.76 12.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 61.98 47.79 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.78 179.58 5.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -124.59 175.05 7.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.16 11.34 10.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.28 -42.34 2.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.2 m -63.94 128.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 t -109.72 155.6 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -57.27 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.22 62.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.12 -45.95 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.6 mm -70.49 -38.7 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.478 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 13.3 tp60 -53.52 -55.23 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -69.45 -40.37 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.29 -11.8 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -125.67 0.24 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -103.74 -52.01 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.47 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 31.4 mm-40 -49.9 -24.67 2.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.432 ' CE1' ' HB3' ' A' ' 130' ' ' LYS . 0.9 OUTLIER -55.32 -27.67 48.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.98 -80.52 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.74 122.67 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 0.0 111.111 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.472 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 40.7 tp -134.76 119.39 18.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -46.66 77.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.15 153.51 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -144.36 105.05 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.17 121.02 24.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -84.75 144.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.36 125.97 30.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.4 139.28 51.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -173.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -94.13 19.03 9.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -117.77 -27.63 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.48 23.75 2.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -136.85 140.16 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.62 114.43 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -28.74 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.92 31.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.11 146.33 14.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.066 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.86 159.74 40.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.51 128.0 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.32 141.29 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -115.38 139.46 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -111.51 153.6 25.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.46 -13.41 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -142.13 172.58 12.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -91.91 -36.7 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.0 -49.01 61.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -44.19 85.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.62 -55.03 36.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.029 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.35 -34.17 73.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.45 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.0 mmtt -59.87 -73.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.49 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.2 ttp -62.1 -56.5 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -15.21 60.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -89.91 -17.01 28.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -117.22 -15.35 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -53.38 110.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.47 19.73 58.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.422 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.11 145.23 30.35 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.587 0.708 . . . . 0.0 111.085 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.85 157.5 60.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -134.76 81.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 73.07 7.62 5.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.78 33.91 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.57 115.32 1.03 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.816 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.98 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.245 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.94 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 120.44 25.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.6 138.86 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -133.17 117.38 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 136.18 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.94 135.86 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.27 104.66 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.9 t -70.98 -169.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.5 -10.53 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -119.73 25.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.36 36.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.64 175.35 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -130.27 100.05 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.6 165.37 20.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.804 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -149.71 178.22 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -104.28 166.55 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -115.99 -26.89 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -52.03 142.65 15.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.7 t60 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.884 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 CA-C-O 121.457 0.476 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 108.33 2.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.9 mt -98.16 136.47 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.46 88.97 1.31 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.47 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -151.99 134.31 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 13.6 m -62.35 -177.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.649 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -98.26 -23.48 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.649 ' C ' ' O ' ' B' ' 105' ' ' TRP . 45.4 m -12.69 108.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' B' ' 105' ' ' TRP . 27.2 mmm180 -114.42 17.68 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.52 145.05 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -50.91 -88.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.429 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.71 115.95 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -163.49 151.94 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -156.39 157.68 31.16 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.594 0.712 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 161.88 44.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.74 112.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 p -74.48 172.81 11.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' B' ' 117' ' ' PRO . 0.0 OUTLIER -174.9 -61.8 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.721 0.772 . . . . 0.0 110.971 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 116' ' ' SER . 54.5 Cg_endo -69.71 158.86 55.57 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.618 2.212 . . . . 0.0 112.392 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -168.14 172.4 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -136.37 166.67 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -137.42 107.89 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.29 152.8 23.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.14 126.64 40.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -143.54 167.53 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.53 149.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.19 121.16 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -89.54 101.1 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.52 159.58 18.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -108.02 160.34 27.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 167.71 23.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.727 2.285 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 116.95 4.8 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 52.3 m -113.47 110.94 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -136.09 112.01 9.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -52.69 145.89 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -97.87 137.41 20.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.35 63.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.95 163.32 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.5 p -132.29 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 15.2 mmt -140.05 178.49 7.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -157.36 168.76 26.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.34 -147.91 11.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.15 159.4 21.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -148.33 160.02 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -140.31 146.39 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -112.56 173.12 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.95 60.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.2 142.93 31.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.95 160.56 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -25.49 28.83 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.827 2.351 . . . . 0.0 112.259 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 55.96 43.54 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.01 94.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -132.25 124.56 29.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -148.61 164.59 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -175.01 165.67 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -100.85 36.04 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.71 179.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -142.21 147.87 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.49 127.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 p -171.76 137.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.18 123.64 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.5 m -149.6 149.88 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.86 164.28 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.96 152.25 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.16 -120.83 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.448 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -116.73 164.53 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.943 0.402 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.48 65.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.9 t -87.1 113.5 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.61 -78.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 t -126.75 -3.17 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.33 -175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -173.94 172.26 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 111.133 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.12 150.78 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.9 tp -133.21 110.56 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -97.91 117.69 32.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 t -101.58 119.92 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.45 168.33 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.4 t30 60.31 56.64 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -95.67 179.53 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.45 171.44 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 10.94 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.9 -39.02 1.92 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.4 m -62.85 120.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.06 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.4 p -100.79 152.26 20.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.67 -45.62 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.17 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -53.32 -42.68 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.9 mm -69.76 -39.04 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -58.38 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.823 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.73 -35.44 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.9 mt -78.58 -11.51 59.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -120.33 1.25 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -110.41 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 57.9 mm-40 -45.35 -31.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -53.62 -55.35 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.8 -67.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.426 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.72 147.96 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 tt -144.68 108.97 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -62.45 -49.89 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 119.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.67 99.07 6.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.71 126.08 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 p -85.44 144.5 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -76.38 131.15 38.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -125.19 131.98 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.77 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -95.55 25.36 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -115.76 -28.97 6.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.34 23.66 2.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.408 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -147.06 155.0 41.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.76 121.97 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.86 -25.85 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.01 30.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.7 m -161.99 146.36 12.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.836 0.351 . . . . 0.0 111.039 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -134.02 150.69 51.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -119.89 134.51 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.28 143.1 26.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -123.02 134.1 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -112.77 153.22 28.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.8 -10.74 47.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -147.97 135.33 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.4 tpp85 -61.74 -17.25 55.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.0 -50.66 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -70.15 -42.42 72.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.46 -55.1 35.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -60.05 -37.15 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.465 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 35.8 mmtt -57.96 -69.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.1 -20.48 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.5 ttm -63.03 -57.18 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -23.19 59.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.88 -27.86 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -106.62 -10.16 16.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.28 108.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.61 18.45 37.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.376 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' B' ' 111' ' ' ARG . 1.2 t -98.64 146.62 31.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.9 Cg_endo -69.87 157.38 60.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.93 79.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.1 t0 70.65 11.46 7.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.73 37.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.03 112.99 0.52 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.968 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.68 138.37 37.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.18 158.0 45.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.59 117.14 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.9 mp -93.67 136.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -131.89 135.35 46.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 13.6 tp -73.81 129.08 37.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.13 135.13 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.98 134.69 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t -97.59 -170.72 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.83 -15.43 61.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 2.7 pp -96.77 -10.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -94.23 39.53 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -32.05 57.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -141.68 169.74 17.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -119.65 49.68 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -125.8 169.36 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.23 171.58 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -115.93 26.79 9.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 54.27 43.94 29.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 CA-C-O 121.532 0.518 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.96 68.36 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.02 151.61 23.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.96 89.83 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 57.8 p -141.83 148.79 39.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 0.0 110.772 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' B' ' 105' ' ' TRP . 3.6 m -62.52 -16.54 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.567 ' HB3' ' O ' ' B' ' 104' ' ' VAL . 0.1 OUTLIER 71.96 -17.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.54 ' H ' ' C ' ' B' ' 104' ' ' VAL . 16.7 p -31.4 107.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -136.98 77.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.576 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.4 OUTLIER -133.47 150.83 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -22.56 -83.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -107.91 126.78 53.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . 0.442 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -168.05 172.16 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.56 155.2 0.75 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.549 0.69 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 171.31 14.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.9 p -123.63 -39.14 2.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.1 168.29 26.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -128.48 69.55 79.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -171.2 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -166.45 147.74 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -150.83 178.86 8.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -141.17 165.87 26.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.68 21.49 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.408 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.93 -153.54 23.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -145.94 168.6 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.58 149.82 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.99 -176.51 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -120.82 179.94 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.3 pp -128.83 -176.16 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -147.41 157.44 45.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 167.71 23.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.618 2.212 . . . . 0.0 112.419 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.72 167.69 23.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.2 61.26 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -131.01 131.28 44.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -140.95 117.53 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.24 132.35 40.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -78.65 136.33 59.42 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 149.93 67.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.612 2.208 . . . . 0.0 112.49 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.86 142.54 28.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.45 177.2 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -125.85 -178.23 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 ptp -167.39 168.26 13.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -163.84 166.1 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.13 149.13 5.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.49 135.0 2.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.52 150.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -176.1 153.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.5 tpp -176.36 140.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.19 59.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -84.9 160.58 55.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -47.92 0.82 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -165.65 106.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -62.27 165.45 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.62 162.48 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -152.85 168.54 25.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -178.92 161.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -174.16 93.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.98 172.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -169.3 146.57 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -168.25 145.77 4.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -175.23 165.48 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.94 126.09 2.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.546 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 t -175.18 151.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.66 153.96 8.32 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.516 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.15 143.24 3.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -111.87 -102.58 2.64 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.568 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.37 -179.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -129.6 -102.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.417 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.48 138.1 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.59 -76.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -33.59 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.45 173.35 28.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.08 156.03 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -100.91 149.81 23.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 tp -132.87 103.46 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -91.68 111.92 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 11.2 t -95.34 139.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.1 m -130.22 175.63 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.4 t30 63.83 42.08 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -90.87 -176.69 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 2.98 16.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.7 -45.03 5.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -62.58 144.42 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -115.93 145.24 43.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.25 -49.77 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.56 94.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -53.74 -45.08 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.9 mm -69.95 -39.71 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 2.0 tt0 -55.54 -56.05 24.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -66.62 -37.75 85.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -71.97 -12.45 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -122.79 0.92 9.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.488 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -108.92 -50.77 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.482 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 0.0 OUTLIER -48.31 -26.85 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -52.55 -43.2 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.26 -76.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.82 122.08 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 42.2 tp -133.46 127.57 33.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -73.85 -47.5 37.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.32 132.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.65 101.45 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.79 40.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.27 142.0 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -73.22 131.15 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.21 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -59.47 -172.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -96.79 26.26 4.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -119.82 -30.39 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.55 23.44 2.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -143.0 138.66 30.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.89 116.83 3.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -28.73 20.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.4 31.77 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.387 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 m -159.89 147.07 16.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.2 50.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.51 122.93 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -142.62 141.93 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -120.79 141.03 50.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -109.72 151.01 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -75.83 -12.39 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.48 176.16 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -93.91 -38.75 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 130' ' ' LYS . . . -50.46 -53.69 27.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -58.28 -46.57 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.05 -51.38 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -58.79 -34.72 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.32 -74.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -55.53 -25.05 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.48 -56.37 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -15.29 61.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -89.57 -22.22 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -112.49 -7.75 13.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -53.82 108.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.81 17.2 41.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -96.37 146.73 31.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 156.93 62.0 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -136.16 85.22 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.5 t0 73.0 7.94 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.94 34.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.1 117.89 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.54 35.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.25 153.97 51.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.16 118.31 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -93.98 132.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -126.11 135.3 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.1 135.51 38.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 65.9 t -126.68 135.39 63.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.05 108.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.2 p -58.59 -174.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.432 ' NE2' ' H ' ' A' ' 153' ' ' GLN . 1.6 pm0 -102.09 -5.24 24.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -109.42 21.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -101.35 57.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.17 176.87 5.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -105.16 30.94 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -151.63 175.79 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.7 t60 61.37 53.32 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -123.14 26.47 8.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -115.94 38.15 3.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -76.9 -55.86 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.794 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 121.415 0.453 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 107.5 1.89 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.62 2.213 . . . . 0.0 112.369 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.75 145.97 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.02 90.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.413 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.65 158.97 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.34 -179.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.497 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.4 OUTLIER -88.3 -21.09 24.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.497 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -30.02 108.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -139.97 73.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.3 OUTLIER -126.22 148.59 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -33.14 -83.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.01 116.83 21.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.11 147.76 8.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -52.44 160.47 1.31 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.528 0.68 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.11 50.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 21.8 p -137.53 127.95 26.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 m -109.85 84.09 1.87 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 13.1 p -173.93 73.56 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 159.48 53.22 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.665 2.243 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -147.95 -178.42 6.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -128.05 114.6 17.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -119.98 156.79 30.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -112.61 156.51 15.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.599 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.44 138.7 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.6 144.85 26.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.65 156.67 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -170.18 127.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -157.48 109.74 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.9 pp -140.41 148.09 40.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -163.12 70.49 1.93 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 167.77 23.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.76 2.307 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.89 145.26 55.86 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 24.4 m -81.48 122.56 27.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -130.84 156.18 45.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.32 39.72 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -51.7 156.86 2.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.618 0.723 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 130.34 19.05 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.236 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -114.63 143.44 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 mmm . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.783 0.325 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.1 169.6 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -160.59 -178.33 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -174.92 161.08 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 m -160.18 150.88 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.24 -176.07 33.93 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.504 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.52 -176.62 27.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -175.16 130.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -174.76 144.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.23 167.03 3.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.99 108.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -108.45 147.62 31.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.42 160.6 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.413 ' HG2' ' H ' ' A' ' 54' ' ' ASP . 54.4 Cg_endo -69.7 -85.65 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 112.394 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.413 ' H ' ' HG2' ' A' ' 53' ' ' PRO . 11.4 p-10 -176.02 112.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -93.84 167.95 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.63 164.75 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -159.08 165.12 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.69 175.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -152.98 110.41 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.02 172.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -122.46 -178.51 3.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -175.03 145.07 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -175.07 174.04 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.27 159.45 24.75 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.1 t -105.49 -74.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.7 174.5 23.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.01 -179.19 32.71 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.94 -116.52 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.73 24.75 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.41 -42.04 28.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.456 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.7 p -100.82 140.28 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.119 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.58 -79.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -4.46 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.82 -175.47 21.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.42 174.54 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.87 146.09 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 tp -132.34 109.09 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tp -97.24 116.82 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 1.8 t -93.32 130.98 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 m -123.71 165.9 16.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.8 t30 62.65 47.6 4.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -89.43 179.82 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -119.8 173.45 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.45 12.51 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.25 -39.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.1 m -63.54 121.62 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -103.73 155.21 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.751 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.44 -36.97 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.94 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.69 -43.13 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 4.3 mm -73.1 -40.08 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.499 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.0 OUTLIER -55.21 -48.15 74.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.45 -39.44 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.9 mt -71.41 -9.55 58.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.416 ' HB3' HD12 ' A' ' 101' ' ' LEU . 5.1 m-85 -122.49 -6.43 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -102.65 -52.46 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' HB3' ' NE1' ' B' ' 105' ' ' TRP . 50.2 mm-40 -48.68 -25.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -52.2 -52.63 51.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.34 -72.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.19 115.87 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.563 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 30.6 tp -121.02 126.44 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -47.57 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -179.23 124.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.34 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.64 121.62 10.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.9 p -83.03 145.04 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.13 129.49 34.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -119.81 138.23 53.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -174.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.957 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 27.45 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -118.14 -29.56 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.24 27.55 1.64 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -152.31 157.98 42.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.35 124.6 23.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.81 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.2 30.79 0.83 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.6 m -160.02 146.83 16.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -131.89 157.8 43.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -133.96 124.52 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -143.23 142.68 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -114.86 140.89 48.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -112.75 155.74 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.08 -13.96 32.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -144.4 145.14 31.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -66.3 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.83 -48.01 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.21 -47.51 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -52.99 -55.79 20.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -61.16 -34.95 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -57.17 -71.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.97 -24.08 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 8.5 ttp -60.39 -63.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -68.83 -23.94 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -78.31 -22.77 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -113.3 -0.27 14.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -65.73 109.71 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.64 17.15 48.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.426 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -100.71 141.9 23.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.653 0.739 . . . . 0.0 111.087 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.8 Cg_endo -69.78 155.79 64.96 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.738 2.292 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.72 74.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 69.59 14.52 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.95 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.11 109.73 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.0 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.237 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.21 158.94 43.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.57 120.33 20.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.8 mp -94.24 139.22 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -127.73 138.26 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 16.9 tp -80.0 127.24 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.52 136.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.04 130.72 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -95.48 -77.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -157.99 -37.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.87 28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -87.69 50.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.6 177.77 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.89 54.28 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.797 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -85.23 165.52 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -126.16 154.47 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -114.91 130.52 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -112.73 -26.03 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -52.1 136.93 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 65.7 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 121.347 0.415 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 136.79 34.07 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -111.56 153.83 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.51 107.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.7 m -152.86 157.31 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . . . . . . . . . 5.5 m -57.79 -178.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -91.36 -18.11 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.516 ' C ' ' O ' ' B' ' 105' ' ' TRP . 1.4 t -28.48 111.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 23.89 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.95 148.94 24.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . . . . . . . . . . . -37.83 -83.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.24 120.89 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.96 160.78 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.6 156.12 0.69 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.485 0.66 . . . . 0.0 110.963 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 154.88 67.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.622 2.215 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.4 p -102.41 133.74 46.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 21.5 p -57.09 146.25 28.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -157.98 69.49 3.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.709 0.766 . . . . 0.0 110.914 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -171.37 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.378 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.01 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -140.37 136.26 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -118.68 152.85 35.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -129.11 133.53 7.6 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.37 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.9 108.18 2.12 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -117.85 132.03 56.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 p -174.4 151.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.94 123.42 4.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -145.58 134.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.3 pp -172.87 127.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.55 157.44 1.01 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.836 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.6 167.67 23.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 167.75 23.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.297 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 157.33 60.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.279 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 4.9 t -166.26 120.11 1.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -112.08 157.97 20.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -148.28 112.82 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.052 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -115.18 72.05 3.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.56 67.63 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.44 122.41 18.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.057 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.673 0.273 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.16 161.24 22.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -158.8 153.0 23.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ttp -95.26 173.72 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -107.17 177.83 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.81 141.95 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.92 39.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -127.55 174.06 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.288 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -126.22 147.48 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tpp -155.96 156.09 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 176.81 101.31 0.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.39 150.26 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.54 160.19 63.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.518 0.675 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -32.11 18.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.647 2.232 . . . . 0.0 112.283 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t0 62.34 48.22 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -67.32 132.82 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.72 172.84 12.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -162.16 139.47 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.41 8.99 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 52.27 35.93 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.2 118.7 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.05 176.33 12.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.54 179.54 2.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.44 165.33 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.32 159.41 14.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 t -138.11 -67.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.65 158.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.81 174.59 36.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.15 161.81 25.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -153.75 175.86 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.4 27.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.11 138.53 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.52 -78.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 t -120.73 -18.68 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.97 177.99 23.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.574 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.54 166.54 32.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 tp -132.94 106.74 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -96.05 114.48 26.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.3 t -94.62 131.83 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -124.22 168.47 12.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.1 t30 61.53 47.76 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.8 175.38 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -126.79 161.21 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -5.26 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -18.15 72.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -99.11 147.06 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -121.92 158.4 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 -56.39 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.91 58.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.57 -43.29 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 6.5 mm -71.78 -40.08 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.459 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 11.5 mt-30 -53.28 -54.9 29.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.95 -40.21 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.8 mt -70.06 -10.5 58.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -125.52 1.36 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -105.0 -47.88 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 38.4 mm-40 -49.58 -26.58 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -54.2 -29.51 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.32 -80.65 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.97 122.27 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 96' ' ' ALA . 50.2 tp -133.62 109.17 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.93 -48.67 75.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 158.57 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.21 105.59 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.99 122.24 21.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.1 p -84.62 144.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.01 121.04 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.77 158.97 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.27 14.66 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 64.22 24.77 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.84 3.29 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.78 23.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -152.24 112.68 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 t -50.97 122.14 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -25.94 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.51 30.18 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.8 m -161.67 146.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.17 159.05 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -131.67 127.46 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.98 142.22 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -117.43 139.13 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -112.24 153.08 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.03 -15.67 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -144.41 140.92 29.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -65.01 -20.36 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.54 -49.56 74.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 -43.73 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.85 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -66.04 -35.19 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.43 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 40.3 mmtt -56.69 -64.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.43 -26.38 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 11.7 ttp -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -78.92 -29.16 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.21 -18.64 60.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -115.42 -10.88 11.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 108.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.7 17.01 40.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.54 140.89 22.82 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.78 157.27 60.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.07 74.4 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t0 71.45 14.04 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.03 32.74 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.76 109.4 1.06 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 110.836 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.441 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.68 135.98 32.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.63 159.09 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.45 121.83 24.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.4 139.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -128.38 138.33 52.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 15.8 tp -82.85 131.2 35.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.96 135.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.24 114.36 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -168.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.26 -5.6 45.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.5 pp -116.05 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.77 35.91 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.74 170.48 10.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -117.72 118.92 33.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -125.77 172.4 9.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -139.76 151.63 45.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -130.76 154.96 47.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -115.39 37.71 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -97.8 119.76 36.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 121.451 0.473 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 167.44 24.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.23 152.84 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.63 115.62 0.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.559 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 72.3 m -109.09 156.01 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.791 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' VAL . . . . . 0.555 ' O ' ' HB3' ' B' ' 105' ' ' TRP . 4.9 m -53.3 -27.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' TRP . . . . . 0.555 ' HB3' ' O ' ' B' ' 104' ' ' VAL . 0.0 OUTLIER 72.19 -15.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 8.5 t -27.71 108.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -134.39 78.97 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . 0.549 ' O ' ' C ' ' B' ' 109' ' ' GLY . 0.4 OUTLIER -134.11 149.64 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.59 -85.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.57 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -97.52 116.63 30.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.12 135.35 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.23 153.31 30.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.555 0.693 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.15 13.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 29.7 p -92.75 92.5 7.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 62.8 m -51.08 117.35 2.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.03 160.19 30.79 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.711 0.767 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 176.88 6.19 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 62.76 69.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -139.19 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -161.78 165.8 27.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.23 158.77 17.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.424 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -131.73 -146.72 5.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.439 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -156.32 162.25 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 60.2 t -136.2 109.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.7 147.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -145.56 142.33 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 pp -173.42 136.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -173.85 73.54 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.73 23.49 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 112.22 3.0 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.767 2.311 . . . . 0.0 112.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 157.5 60.15 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 3.2 p -100.65 139.84 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.162 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -109.62 157.26 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -163.58 153.12 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -93.34 137.44 23.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.54 65.85 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -122.66 122.47 38.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.909 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.829 0.347 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.69 -179.92 26.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.14 160.16 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -101.4 146.14 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.58 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.7 tp -129.71 110.38 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -98.24 110.92 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.678 HG12 HD21 ' A' ' 82' ' ' LEU . 4.6 t -93.01 141.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -135.42 173.24 11.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 61.65 40.34 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -80.01 -179.74 7.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 175.11 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.0 12.54 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -105.18 -39.2 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.941 HG21 HD12 ' A' ' 82' ' ' LEU . 2.0 m -63.43 129.34 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -109.86 154.56 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.33 -51.2 6.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.94 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -52.56 -47.86 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.768 HD11 ' HB ' ' A' ' 86' ' ' VAL . 3.7 mm -69.49 -38.06 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.76 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.3 -61.85 2.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -64.58 -40.94 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.09 HD13 HD21 ' A' ' 140' ' ' LEU . 25.8 mt -65.04 -14.41 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.2 m-85 -124.56 0.88 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.56 -53.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.465 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 8.4 mm-40 -49.67 -25.44 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -53.56 -33.57 55.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.9 -76.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -128.71 123.28 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.158 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 120' ' ' VAL . 60.6 tp -132.05 115.32 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.42 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 155.1 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.76 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.75 97.35 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.45 123.47 31.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -87.02 142.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.18 129.56 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -124.87 130.78 53.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -59.1 -175.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 t -117.52 -24.01 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.71 24.05 4.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -143.87 142.23 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 115.1 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -28.92 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.77 33.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -157.85 146.94 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.163 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -133.51 154.73 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -131.5 125.55 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.66 140.49 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 4.4 m170 -114.38 141.39 47.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 77' ' ' LEU . 43.4 m-85 -113.0 149.46 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 100' ' ' THR . 1.4 mt-10 -79.03 -15.71 57.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -141.24 175.08 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -91.57 -35.76 14.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.37 -48.87 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -66.58 -42.95 86.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.46 -60.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.09 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -57.42 -74.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.23 -21.76 62.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.113 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.8 ttm -61.75 -64.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -70.59 -20.7 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 131' ' ' ALA . 21.3 mm100 -79.61 -26.17 41.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.9 m-85 -110.48 -5.0 15.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.1 108.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.97 17.2 43.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -96.79 147.23 32.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 111.16 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.1 Cg_endo -69.73 157.75 59.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.611 2.208 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.09 HD21 HD13 ' A' ' 94' ' ' LEU . 1.3 tm? -136.93 83.79 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 t70 73.62 6.52 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.07 34.43 0.68 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.416 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -164.26 116.93 0.99 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 137.95 36.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.555 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.78 160.23 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -129.62 120.99 26.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.618 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.92 137.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -125.51 138.52 53.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.504 HD13 ' CE ' ' A' ' 132' ' ' MET . 20.4 tp -81.43 125.99 31.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.29 136.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.97 107.77 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.9 -179.852 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.606 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.606 ' C ' ' O ' ' B' ' 105' ' ' TRP . 62.4 m -18.48 109.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 65.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.608 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -133.11 149.11 52.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.475 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -45.23 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.608 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.338 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.0 173.09 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.87 159.7 36.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.6 OUTLIER -98.71 150.09 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.656 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.97 112.44 10.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.4 tp -99.19 120.05 38.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.724 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -98.4 126.16 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.78 167.03 11.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.23 53.49 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 86' ' ' VAL . 4.0 mm? -94.15 179.02 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.71 172.0 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.02 9.99 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.2 -40.88 2.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -64.08 119.55 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.17 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -98.88 148.61 23.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.7 -40.55 4.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.5 72.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -53.52 -44.03 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.2 mm -71.03 -35.49 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 12.4 tp60 -57.91 -51.42 69.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.74 -34.43 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.007 HD13 HD21 ' A' ' 140' ' ' LEU . 15.2 mt -73.71 -13.39 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.6 m-85 -119.74 -7.17 10.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.532 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.99 -49.58 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 48.9 mm-40 -49.46 -26.33 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -54.88 -30.22 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.02 -78.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -130.39 121.63 26.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.772 0.32 . . . . 0.0 111.091 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 104' ' ' ALA . 64.3 tp -134.14 120.45 20.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 155.91 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -151.83 101.5 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.55 126.15 30.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.549 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.4 p -84.09 142.96 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 115' ' ' LEU . 6.3 m-20 -75.52 130.48 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 114' ' ' SER . 2.6 m-85 -123.17 137.6 54.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.39 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -93.36 18.69 9.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -116.9 -25.64 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.66 23.49 3.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -136.37 138.62 41.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 108' ' ' TYR . 1.4 t -60.07 115.47 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.33 -28.83 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.37 29.4 0.92 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 6.4 m -161.32 146.24 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.549 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -132.55 157.08 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -122.18 135.98 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.612 ' CG1' HD11 ' A' ' 101' ' ' LEU . 61.8 t -143.23 142.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.23 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.622 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.7 m-70 -125.59 126.86 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 77' ' ' LEU . 55.6 m-85 -105.82 149.58 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.7 mt-10 -82.1 -11.91 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -142.01 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -91.91 -36.68 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.98 -50.5 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -41.89 96.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HE3' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -56.8 -33.94 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.464 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 53.1 mmtt -61.13 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.32 -23.78 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 149' ' ' LEU . 10.4 ttp -63.7 -63.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' HD12 ' A' ' 129' ' ' LEU . 13.0 ptpt -65.53 -22.29 66.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -82.71 -24.42 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-85 -111.71 8.08 20.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -75.45 109.33 8.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.47 14.61 55.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.565 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.0 OUTLIER -100.15 146.27 31.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.74 158.6 56.44 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 94' ' ' LEU . 1.1 tm? -136.19 82.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.1 t0 74.73 5.86 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.46 33.49 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.58 117.48 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.4 Cg_endo -69.7 137.93 36.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.515 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -138.06 157.64 45.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.74 120.23 24.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.555 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.35 139.27 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -130.68 136.81 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 77' ' ' LEU . 11.5 tp -75.63 127.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.1 136.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -72.91 140.16 47.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.556 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.556 ' C ' ' O ' ' B' ' 105' ' ' TRP . 60.0 p -23.86 110.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -139.22 74.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.62 149.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.417 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -42.13 -89.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.573 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.73 0.3 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.82 -177.25 21.47 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.29 159.03 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 1.8 mtmt -98.44 147.9 24.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.549 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.11 110.47 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.1 tp -98.0 116.32 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -95.56 130.97 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.253 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.416 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.2 m -123.13 168.38 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 60.22 49.45 7.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.756 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -88.77 178.85 6.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -119.06 166.73 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.2 6.88 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.05 -41.88 2.53 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.406 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.728 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.7 m -63.02 126.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.5 p -108.33 156.25 19.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.38 -55.15 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.57 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -53.1 -45.73 68.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.728 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.83 -38.03 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.6 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -54.61 -54.37 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -68.55 -40.97 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.92 HD13 HD21 ' A' ' 140' ' ' LEU . 17.8 mt -68.12 -12.51 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.674 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.4 m-85 -123.07 -1.58 8.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.73 -52.98 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.449 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 36.1 mm-40 -48.42 -25.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -52.53 -43.74 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 118.36 20.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 120' ' ' VAL . 41.3 tp -128.05 124.41 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -71.81 -43.67 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.559 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -176.61 151.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -143.44 106.01 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.81 119.79 19.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.5 p -84.01 144.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.566 ' HB3' HD21 ' A' ' 115' ' ' LEU . 15.8 m-20 -79.04 126.36 30.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -118.36 141.4 48.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -172.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -93.59 17.99 10.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.39 -26.66 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.84 22.79 3.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -134.61 138.19 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 113.41 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.55 -29.84 18.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 32.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.4 m -161.32 145.97 13.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.94 158.01 45.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -130.17 126.85 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.763 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.46 141.32 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.44 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.1 m-70 -117.62 139.13 51.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -109.34 152.81 24.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.77 -17.0 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.46 173.71 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.02 -37.86 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.477 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.12 -48.5 61.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.88 -40.41 97.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.0 -61.23 2.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.8 -32.06 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -60.82 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.04 -24.09 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.45 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.9 ttp -63.92 -53.23 53.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -76.22 -20.28 57.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -85.06 -20.5 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.515 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -113.5 -10.86 13.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -52.04 108.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 57.87 18.73 33.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.75 143.17 25.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.636 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.4 Cg_endo -69.93 158.43 56.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.92 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -130.45 74.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 1.8 t70 69.75 13.83 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.5 36.36 0.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.59 109.31 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.3 Cg_endo -69.7 136.64 33.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.625 2.216 . . . . 0.0 112.274 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.595 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.95 160.27 38.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.32 121.45 23.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.2 138.54 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -126.42 138.52 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.2 tp -83.96 126.36 32.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.27 135.95 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.16 122.87 23.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.808 -179.812 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.49 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.75 0.31 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.49 ' C ' ' O ' ' B' ' 105' ' ' TRP . 50.1 p -29.64 110.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.18 56.78 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.588 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -117.36 148.9 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -43.95 -90.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.636 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.849 0.356 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.48 -176.74 22.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.81 156.27 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 147.17 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.9 tp -129.86 106.15 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -92.91 111.92 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 1.9 t -91.67 142.44 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 m -136.46 171.05 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.0 t30 57.25 46.86 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -86.03 176.52 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' A' ' 143' ' ' ARG . 25.5 t0 -113.97 166.71 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.51 7.57 14.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.59 -41.61 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.781 ' HB ' HD11 ' A' ' 91' ' ' ILE . 2.0 m -63.34 123.89 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -105.34 155.38 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.5 -41.54 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.62 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.91 -43.41 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -70.99 -38.87 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.776 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.41 -52.11 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -71.3 -37.92 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.967 HD13 HD21 ' A' ' 140' ' ' LEU . 14.3 mt -70.67 -11.92 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.585 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.1 m-85 -121.98 -6.41 8.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.2 -50.92 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 28.2 mm-40 -47.82 -27.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.25 -38.28 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 166.72 -77.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.595 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.74 120.3 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' CG1' ' A' ' 120' ' ' VAL . 65.5 tp -131.74 123.53 27.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -71.23 -43.07 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.35 158.26 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.22 98.08 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.16 120.44 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.6 p -82.25 143.89 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 19.6 t0 -78.68 130.39 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.05 130.33 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.22 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -94.58 27.63 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -118.83 -30.82 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.14 28.98 1.27 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -153.65 155.02 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -64.99 110.74 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.5 -25.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.654 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.58 35.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -162.14 147.11 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -137.1 155.95 48.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -124.37 132.78 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.691 ' CG1' HD11 ' A' ' 101' ' ' LEU . 21.7 t -142.98 142.76 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.8 m-70 -124.09 134.09 53.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.5 m-85 -113.77 150.25 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -82.33 -15.07 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.412 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -137.23 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.3 ttm-85 -91.37 -37.74 13.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.81 -48.93 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.24 -41.95 99.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.11 -61.92 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -54.36 -31.98 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.5 mmpt? -62.07 -76.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.02 -22.72 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.608 ' CE ' HD13 ' A' ' 149' ' ' LEU . 13.2 ttp -65.93 -55.35 17.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -72.93 -19.13 61.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -87.16 -23.15 24.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.507 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.4 m-30 -110.79 -4.99 15.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 108.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.87 36.47 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.668 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -99.58 146.63 32.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.705 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.88 161.95 44.01 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.559 2.173 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.967 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -136.12 75.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 70.91 14.31 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.69 36.85 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -168.09 112.0 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.2 Cg_endo -69.62 138.88 39.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.35 158.02 45.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.13 118.83 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.507 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.46 138.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -126.15 138.03 53.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.9 tp -81.65 129.18 34.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 40.7 t -127.03 132.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.03 103.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.557 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.777 0.322 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.557 ' C ' ' O ' ' B' ' 105' ' ' TRP . 47.4 t -24.44 112.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -134.45 67.67 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.723 HD22 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.96 149.75 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -27.91 -84.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.502 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.751 0.31 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.38 -178.16 20.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.28 153.85 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -95.25 149.7 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.597 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.6 tp -133.65 109.93 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 tp -97.44 112.1 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 82' ' ' LEU . 6.3 t -93.65 140.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 117' ' ' THR . 18.2 m -134.18 175.39 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.0 t30 59.89 44.73 13.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -87.55 177.16 7.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.56 173.88 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 8.59 26.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -95.63 -9.34 57.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.65 164.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -135.63 150.66 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.39 -57.9 3.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.58 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -53.45 -44.02 68.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.7 mm -71.22 -36.13 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.641 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -56.55 -52.11 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.57 -33.94 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.934 HD13 HD21 ' A' ' 140' ' ' LEU . 14.0 mt -73.36 -12.67 60.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -121.91 -6.55 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -99.91 -48.33 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 17.2 mm-40 -50.41 -25.08 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -56.59 -29.76 62.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.51 -81.02 0.16 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 119.1 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 67.9 tp -130.04 119.32 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -65.17 -43.95 90.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 156.47 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -149.53 104.24 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.71 122.79 22.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -83.69 144.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 115' ' ' LEU . 28.1 m-20 -80.38 123.25 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.34 152.05 26.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -168.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 61.7 mmt-85 -95.58 29.76 2.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -131.58 -41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 135.22 37.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -152.66 142.85 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -59.48 115.85 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.36 -24.29 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.84 30.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.5 m -162.0 146.12 12.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.712 0.291 . . . . 0.0 111.13 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -137.35 155.95 48.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 101' ' ' LEU . 15.1 t -143.59 143.0 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.637 ' O ' HD12 ' A' ' 101' ' ' LEU . 8.5 m-70 -125.53 131.25 52.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.539 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.7 m-85 -110.1 149.09 30.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.12 -14.0 58.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -142.09 176.94 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.922 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -92.78 -37.71 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.04 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.53 -48.12 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -56.12 24.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -57.22 -36.3 70.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 3.5 mmtm -59.35 -72.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.13 -24.34 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.45 -53.66 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -19.74 58.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.47 -21.19 28.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.4 m-30 -111.6 -13.56 13.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 109.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.12 18.08 40.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.406 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.687 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -98.14 146.1 30.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.687 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.6 Cg_endo -69.77 156.34 63.56 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.934 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -136.87 85.06 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.2 t0 75.64 5.52 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.75 31.24 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.54 118.82 1.52 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.8 Cg_endo -69.81 139.23 39.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.528 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.37 159.56 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.01 122.83 33.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.96 134.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -121.84 138.87 54.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 77' ' ' LEU . 22.6 tp -84.81 128.62 34.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.0 134.21 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.31 110.93 4.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.56 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.56 ' C ' ' O ' ' B' ' 105' ' ' TRP . 81.6 p -24.53 112.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.6 62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.48 150.84 48.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.62 -83.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.503 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.838 0.352 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.43 174.51 27.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.4 155.56 24.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.945 0.402 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 4.3 mtmt -98.86 146.17 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.032 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.2 tp -128.34 109.48 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -100.38 109.69 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.696 HG22 HG13 ' A' ' 147' ' ' ILE . 5.6 t -91.37 140.31 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 45.7 m -133.05 174.34 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 61.79 41.85 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -83.77 175.68 9.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -128.68 174.57 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 113' ' ' ARG . 0.5 OUTLIER -89.31 13.41 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.441 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -103.4 -6.43 44.55 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.48 164.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -138.09 150.07 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.33 -55.92 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.74 -46.6 59.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.9 -44.55 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' CG1' ' A' ' 86' ' ' VAL . 4.7 mm -71.56 -37.46 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 4.8 mt-30 -53.38 -55.79 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.2 -38.71 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.86 HD13 HD21 ' A' ' 140' ' ' LEU . 14.6 mt -68.95 -11.54 60.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.665 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.4 m-85 -125.57 -1.44 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -103.3 -49.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.8 mm-40 -48.56 -26.35 2.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.0 m-85 -53.77 -31.63 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.81 -78.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.419 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -124.6 119.76 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.194 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' CG1' ' A' ' 120' ' ' VAL . 62.2 tp -130.9 111.19 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -56.27 -47.22 79.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.64 153.08 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -142.05 113.78 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.84 121.01 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.0 p -82.15 144.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.36 125.51 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -110.61 137.18 48.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -59.64 -171.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -93.16 24.03 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -119.01 -29.14 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.74 22.17 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -142.11 149.86 40.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -55.37 111.12 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -53.56 -23.34 10.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.615 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.3 29.24 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.2 m -162.42 146.53 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.75 152.03 50.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -118.11 134.73 54.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.731 ' CG1' HD11 ' A' ' 101' ' ' LEU . 12.1 t -144.13 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.66 ' O ' HD12 ' A' ' 101' ' ' LEU . 8.4 m-70 -124.3 136.06 53.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.593 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.7 m-85 -115.35 148.43 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HG3' HG22 ' A' ' 100' ' ' THR . 2.4 mt-10 -79.55 -14.2 59.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.586 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 5.9 ptm180 -146.22 138.58 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.483 ' HE ' HD21 ' A' ' 149' ' ' LEU . 0.1 OUTLIER -62.2 -19.71 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -61.13 -49.79 75.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.21 -42.07 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.032 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.06 -50.88 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -66.12 -34.96 79.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 2.6 mttt -57.56 -65.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -65.39 -26.87 68.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.654 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.5 ttp -58.94 -58.62 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.45 -25.23 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -77.39 -20.3 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.568 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.5 m-85 -115.2 -6.33 12.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 108.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.2 14.74 48.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -91.59 143.15 27.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.7 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.594 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.1 Cg_endo -69.92 157.52 59.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -134.11 82.0 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.463 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.5 m-20 74.03 7.68 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.57 30.35 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.441 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -158.94 116.62 1.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.68 138.52 38.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 2.228 . . . . 0.0 112.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.568 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.65 155.59 49.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.696 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -94.45 138.94 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -127.47 135.74 50.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.654 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.5 tp -77.23 133.81 38.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 42.7 t -126.7 135.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.91 123.5 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.741 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.558 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.558 ' C ' ' O ' ' B' ' 105' ' ' TRP . 98.3 p -23.08 112.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -144.82 77.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.54 148.87 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.95 -82.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.419 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.594 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.21 176.87 25.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.98 36.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.385 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.37 143.48 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -131.37 113.25 13.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.0 tp -102.08 116.04 31.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.655 HG12 HD21 ' A' ' 82' ' ' LEU . 1.7 t -90.46 134.13 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -126.98 167.81 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 61.7 43.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.847 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -84.74 178.17 7.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.73 174.11 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.88 11.7 12.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.13 -41.08 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.847 HG21 HD12 ' A' ' 82' ' ' LEU . 2.5 m -63.56 125.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -107.72 156.54 18.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.72 -40.09 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.9 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -71.79 -40.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.688 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.7 -53.32 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.14 -41.66 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 140' ' ' LEU . 21.2 mt -68.15 -11.02 58.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -120.99 -8.52 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.62 -52.75 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.9 mm-40 -47.19 -27.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.35 -40.64 65.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.64 -76.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 120.45 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 120' ' ' VAL . 67.7 tp -131.87 125.53 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 121' ' ' HIS . 5.1 mtmm -70.76 -48.58 53.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.83 133.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.956 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -121.78 106.86 11.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.98 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.682 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.0 p -83.63 144.54 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.438 ' CB ' HD21 ' A' ' 115' ' ' LEU . 6.1 m-20 -78.92 130.3 35.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.86 134.37 54.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.63 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.12 22.0 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -115.67 -21.91 9.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 21.14 6.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -139.07 152.25 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 119.02 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.99 -26.16 59.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.8 29.49 1.04 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.45 146.1 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.71 157.65 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -128.98 131.6 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.58 140.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.8 m-70 -111.26 140.71 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.5 m-85 -116.79 147.3 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -83.19 -15.15 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 170.5 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.808 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -90.47 -36.2 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.07 -49.11 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -64.02 -42.01 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -57.47 -60.92 2.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.3 -33.32 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.469 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.6 mmpt? -60.9 -74.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.611 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.8 -23.54 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.574 ' CE ' HD13 ' A' ' 149' ' ' LEU . 11.2 ttp -63.89 -56.02 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -75.95 -15.77 60.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -88.5 -20.93 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.531 ' CB ' HD13 ' A' ' 147' ' ' ILE . 20.3 m-30 -112.29 -17.79 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -53.02 110.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.92 15.24 55.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.451 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.0 OUTLIER -99.37 141.65 23.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.62 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.8 Cg_endo -69.79 159.65 52.62 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.215 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.876 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -131.41 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 0.9 OUTLIER 69.53 13.87 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.6 36.67 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.65 110.64 0.6 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.68 31.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.635 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.29 158.48 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.531 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.18 138.71 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -123.11 137.29 54.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.004 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.2 tp -81.89 125.65 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.17 135.0 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.29 106.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.58 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.58 ' C ' ' O ' ' B' ' 105' ' ' TRP . 96.2 p -22.71 107.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -126.92 48.13 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.61 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -115.72 148.77 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.478 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -46.41 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.62 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.791 0.329 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.32 -176.9 23.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.28 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -101.26 142.62 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.2 tp -126.4 108.81 11.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.16 109.29 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.801 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -91.81 141.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 171.89 13.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.7 37.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.801 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -80.43 179.53 7.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.52 164.13 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.88 2.1 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.91 -36.82 6.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.802 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -70.84 125.96 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 111.133 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.7 p -103.39 154.19 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -56.14 3.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.06 -46.51 61.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.26 -47.92 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.802 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.0 mm -69.58 -39.9 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.702 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 7.2 mt-30 -52.02 -61.61 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.31 -41.74 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.085 HD13 HD21 ' A' ' 140' ' ' LEU . 25.6 mt -64.47 -14.61 57.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.467 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.9 m-85 -125.28 2.33 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.3 -53.26 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 25.8 mm-40 -48.98 -25.92 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.52 -33.0 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.35 -75.51 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 122.67 31.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.705 HD11 HG23 ' A' ' 120' ' ' VAL . 37.3 tp -133.7 118.82 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.5 -46.59 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.588 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 1.4 tmtt? -172.26 153.27 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -147.49 108.41 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.588 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -141.17 127.71 20.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 41.7 t -76.24 144.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.32 98.51 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.75 141.82 28.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -66.63 -167.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -90.23 18.16 6.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -116.42 -42.69 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.98 36.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -154.77 136.36 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.4 t -51.49 110.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -20.8 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.22 33.96 0.56 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -160.6 146.59 15.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.53 153.36 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -129.12 124.19 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.15 139.78 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -114.57 144.55 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 77' ' ' LEU . 31.1 m-85 -116.01 150.25 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.04 -18.68 49.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -138.22 173.74 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -91.72 -35.71 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.2 -50.14 50.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.52 -43.48 80.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.472 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.59 -58.26 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.06 -33.78 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.3 mtmt -58.1 -73.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.651 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.01 -25.16 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.66 ' HE3' HD12 ' A' ' 149' ' ' LEU . 1.8 ttp -59.96 -63.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.78 -19.13 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -81.88 -21.92 37.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.572 ' HE1' HD23 ' B' ' 108' ' ' LEU . 19.8 m-85 -117.43 3.0 12.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 108.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.12 16.22 47.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -94.85 148.74 35.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 111.163 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.2 Cg_endo -69.76 158.71 56.01 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -138.71 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.17 6.51 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.02 33.83 0.77 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.462 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.39 118.46 1.13 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.73 139.18 39.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.618 2.212 . . . . 0.0 112.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.84 154.65 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.44 116.02 22.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.668 HG13 HG22 ' A' ' 79' ' ' VAL . 2.4 mp -93.94 125.11 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -116.0 139.01 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.66 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.9 tt -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.478 ' N ' HD23 ' A' ' 149' ' ' LEU . 68.7 t -128.05 135.86 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -77.94 124.59 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 105' ' ' TRP . 51.8 p -28.9 112.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -143.21 80.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.658 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.15 149.59 52.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.82 -85.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.534 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.802 0.334 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.7 -173.62 24.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.55 156.47 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 146.69 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.5 tp -129.21 107.2 9.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 tp -94.83 111.23 23.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.722 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -94.54 137.31 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -130.48 170.34 14.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 60.71 48.23 7.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -87.21 -179.46 6.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.85 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.12 10.93 12.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.69 -39.86 2.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.822 HG21 HD12 ' A' ' 82' ' ' LEU . 1.6 m -64.18 127.4 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 p -106.11 152.2 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.61 -58.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.11 63.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.42 -45.89 69.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.79 HD11 ' HB ' ' A' ' 86' ' ' VAL . 6.7 mm -68.1 -37.86 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -56.73 -51.73 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -68.16 -37.0 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 140' ' ' LEU . 29.3 mt -75.99 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' C ' HD12 ' A' ' 101' ' ' LEU . 7.2 m-85 -123.8 0.96 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -109.25 -47.27 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 27.2 mm-40 -46.97 -28.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.6 m-85 -55.43 -45.99 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.97 -65.19 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 152.58 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.126 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -151.7 111.12 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.89 -50.4 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -169.09 117.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -114.8 102.79 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HB3' ' HE3' ' A' ' 103' ' ' LYS . . . -131.98 122.9 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.81 144.61 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 115' ' ' LEU . 28.9 m-20 -76.98 129.11 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.46 129.16 52.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -94.78 26.64 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.25 -27.66 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.84 19.58 3.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -143.69 161.81 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.29 112.26 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -52.03 -23.92 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.639 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 122.89 36.41 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -161.8 147.22 13.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.99 149.38 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -128.32 121.28 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.444 HG23 HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -140.52 143.98 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.3 139.82 52.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 17.6 m-85 -110.72 154.0 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -84.83 -10.66 56.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -143.7 174.57 10.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.29 -37.46 12.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.31 -51.25 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.95 -44.87 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.88 -59.35 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -53.89 -35.48 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -61.17 -76.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -55.53 -24.42 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.705 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.8 ttp -62.59 -63.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.43 ' HE3' HD12 ' A' ' 129' ' ' LEU . 12.4 ptpt -71.04 -13.53 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.49 -20.86 23.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.543 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.8 m-30 -112.64 -13.98 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -52.57 110.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.89 18.33 56.77 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.66 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -103.24 148.03 35.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.3 Cg_endo -69.93 158.67 55.96 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 94' ' ' LEU . 1.4 tm? -135.94 80.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.6 t0 74.39 6.34 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 127.12 33.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -164.31 116.7 0.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.963 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.77 139.4 40.08 Favored 'Trans proline' 0 C--N 1.34 0.098 0 C-N-CA 122.685 2.257 . . . . 0.0 112.201 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.543 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.81 162.42 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.16 124.53 32.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -98.36 133.86 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -123.65 136.97 54.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.705 HD13 ' CE ' ' A' ' 132' ' ' MET . 12.4 tp -78.89 126.82 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.03 136.02 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.99 127.85 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.485 ' C ' ' O ' ' B' ' 105' ' ' TRP . 78.0 p -30.78 110.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -130.19 31.88 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.68 150.93 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -32.62 -83.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.443 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.53 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.52 -179.36 18.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.44 159.9 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 4.2 mtmt -100.77 148.27 25.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.5 tp -131.96 107.09 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.47 110.39 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 3.2 t -92.6 142.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.201 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.7 m -135.85 171.55 14.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 60.66 43.43 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.696 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -83.23 179.38 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.78 174.39 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.27 11.39 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.98 -10.27 26.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.06 124.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 p -106.38 156.14 18.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -42.28 -46.04 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.37 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.11 -43.96 67.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.3 mm -70.12 -41.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.69 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.4 mt-30 -52.24 -57.76 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.71 -40.21 91.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.095 HD13 HD21 ' A' ' 140' ' ' LEU . 28.2 mt -69.43 -11.37 60.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.672 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -123.25 -1.05 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -107.47 -50.56 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 40.8 mm-40 -48.43 -26.55 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -48.03 66.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.88 -75.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.84 119.63 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 120' ' ' VAL . 44.7 tp -129.54 129.67 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -48.01 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 134.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.0 106.77 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.25 120.13 26.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -81.55 144.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.3 t0 -79.29 129.27 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -120.15 135.62 54.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -58.22 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -92.21 38.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -136.03 -38.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.96 28.87 0.64 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -144.47 153.2 41.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.0 107.13 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.26 -25.42 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.69 35.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.06 147.18 12.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.86 152.06 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -129.66 122.23 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.82 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.2 p -142.77 143.0 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.0 m-70 -119.77 140.79 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CE1' HD22 ' A' ' 77' ' ' LEU . 38.8 m-85 -110.41 151.79 27.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -78.89 -16.16 57.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -139.53 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -93.21 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.795 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.05 -51.83 49.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.82 -52.98 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.604 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.1 -50.71 63.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -56.62 -37.07 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -62.66 -74.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.78 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.54 -25.63 27.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.493 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.1 ttp -63.45 -62.38 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -70.61 -13.38 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -90.78 -20.71 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.533 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 17.9 m-85 -112.44 -15.23 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.09 19.17 56.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.633 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -104.23 147.75 34.84 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.68 0.752 . . . . 0.0 111.037 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.5 Cg_endo -69.82 158.51 56.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.095 HD21 HD13 ' A' ' 94' ' ' LEU . 1.7 tm? -137.13 81.99 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 t0 74.65 6.16 4.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.09 33.7 0.67 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.87 117.27 1.04 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 110.928 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.83 38.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.249 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.533 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -138.23 159.43 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.88 121.67 30.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 77' ' ' LEU . 1.8 mp -96.02 133.63 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -122.4 137.33 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.493 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.8 tp -81.91 128.83 34.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.9 t -127.01 135.89 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.7 115.98 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.577 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.742 0.306 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.577 ' C ' ' O ' ' B' ' 105' ' ' TRP . 61.2 m -22.35 112.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -134.06 66.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.41 151.33 51.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.41 -83.68 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.475 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.532 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.53 -179.9 31.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.96 41.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.966 0.412 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -100.99 152.21 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.6 tp -134.9 107.79 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.43 114.07 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.764 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -97.98 125.43 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.407 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.01 168.77 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.56 56.19 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.764 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -94.67 -178.85 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.24 164.86 13.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -86.01 8.78 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.95 -36.32 2.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.804 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.8 m -62.93 126.64 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -104.12 152.07 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -53.3 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.77 55.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.804 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.3 mm -68.27 -36.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -59.62 -49.76 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.0 -35.36 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.907 HD13 HD21 ' A' ' 140' ' ' LEU . 22.3 mt -78.15 -12.68 60.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.3 m-85 -119.74 1.3 11.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -111.56 -47.28 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.446 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 5.8 mm-40 -46.7 -28.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 4.4 m-85 -57.01 -44.4 82.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.6 -71.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.84 147.34 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.152 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -142.98 111.46 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -64.86 -50.25 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.81 119.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -115.53 113.0 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.037 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.22 127.29 14.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.0 p -88.3 144.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.485 ' CB ' HD21 ' A' ' 115' ' ' LEU . 4.1 m-20 -76.07 128.43 34.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.97 135.78 55.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -94.59 20.12 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t -118.14 -27.56 6.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.96 25.54 2.51 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -142.11 137.11 30.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -54.73 118.3 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -55.63 -25.31 38.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.97 28.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.52 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.407 HG23 ' HA ' ' A' ' 80' ' ' SER . 8.8 m -158.03 146.09 18.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -133.65 152.43 51.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.13 132.81 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.4 143.11 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -121.34 135.21 55.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.553 ' CE1' HD22 ' A' ' 77' ' ' LEU . 16.7 m-85 -111.92 156.18 22.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.61 -13.98 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.0 ptp180 -144.96 135.81 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -17.22 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.653 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -62.69 -53.22 57.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.6 -46.73 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.94 -49.59 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -59.74 -37.69 79.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.514 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 29.2 mmtm -62.47 -72.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.59 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.51 -25.91 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.0 ttp -64.94 -54.9 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -75.21 -15.41 60.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -90.14 -23.32 21.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.546 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.7 m-85 -108.74 -12.45 14.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 108.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.44 16.84 45.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.562 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.9 OUTLIER -95.85 144.66 28.21 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.684 0.755 . . . . 0.0 111.079 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.8 Cg_endo -69.79 159.54 53.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.246 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.907 HD21 HD13 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -132.75 75.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.4 t70 69.99 14.93 7.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.3 37.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.64 111.89 0.48 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.6 139.31 40.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.78 158.64 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.47 121.04 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.546 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.41 138.97 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -131.4 118.89 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 77' ' ' LEU . 13.1 tp -66.86 132.22 47.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.8 t -126.87 135.12 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.35 8.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 -179.768 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.569 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.569 ' C ' ' O ' ' B' ' 105' ' ' TRP . 95.9 p -23.12 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -137.38 76.55 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.527 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.3 OUTLIER -133.63 149.49 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -29.41 -85.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.451 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 -174.05 24.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.78 155.88 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 2.3 mtmt -95.34 147.08 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.7 tp -131.89 109.71 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.2 tp -97.62 117.07 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.775 HG12 HD21 ' A' ' 82' ' ' LEU . 3.1 t -97.18 130.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.0 OUTLIER -122.49 168.27 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 61.5 50.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.775 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -90.56 178.81 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.74 171.27 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 10.72 11.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.24 -41.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 HD12 ' A' ' 82' ' ' LEU . 1.4 m -63.06 127.88 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -109.46 156.57 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.39 -55.24 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.56 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -52.84 -45.69 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -71.12 -38.45 71.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.586 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -53.8 -56.83 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.69 -40.16 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.116 HD13 HD21 ' A' ' 140' ' ' LEU . 24.0 mt -67.81 -11.97 59.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.693 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.7 m-85 -125.53 0.6 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.12 -51.51 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 12.2 mm-40 -49.06 -25.39 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.93 -33.0 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.83 -78.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.15 121.13 28.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' A' ' 120' ' ' VAL . 41.8 tp -131.84 115.52 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -61.3 -46.72 89.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 153.61 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -144.28 110.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.07 120.83 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.8 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.65 129.06 34.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -122.96 134.61 54.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -59.6 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -96.19 27.6 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.87 -31.56 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.73 27.83 1.52 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -148.0 139.52 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.16 116.39 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -29.78 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.06 32.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 80' ' ' SER . 5.2 m -161.52 146.43 13.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.636 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.25 158.39 43.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -130.98 126.83 37.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.21 141.58 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.438 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.1 m-70 -117.45 139.08 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 77' ' ' LEU . 41.6 m-85 -109.45 152.8 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -80.73 -15.8 55.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -140.64 175.84 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -91.78 -36.73 13.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -49.88 56.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.8 -40.89 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.02 -63.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -53.67 -33.25 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -60.26 -76.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.48 -21.85 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.601 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.0 ttp -64.14 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.1 -15.95 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -85.95 -25.06 26.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.548 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.4 m-85 -108.85 -11.95 14.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.83 110.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.27 15.67 51.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.456 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -98.63 145.96 30.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.535 0.684 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.456 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.91 158.94 55.09 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.116 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -136.71 83.55 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . 0.448 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.7 m-20 69.95 10.42 7.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.8 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.26 39.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.64 115.53 0.46 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.956 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.62 38.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.532 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.53 160.42 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 122.31 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.548 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.67 138.58 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -128.05 138.57 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.601 HD13 ' CE ' ' A' ' 132' ' ' MET . 11.9 tp -81.08 128.34 33.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.5 t -126.93 136.01 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.93 120.83 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -179.776 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.578 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.313 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.578 ' C ' ' O ' ' B' ' 105' ' ' TRP . 74.6 m -21.83 113.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -139.48 71.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.53 151.24 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -30.39 -85.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.572 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.839 0.352 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.64 179.67 18.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.42 159.39 37.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.6 OUTLIER -100.72 150.25 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.603 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.3 tp -136.38 110.18 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.2 tp -95.08 115.91 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 82' ' ' LEU . 1.6 t -93.72 132.45 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 12.9 m -126.61 169.44 13.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 60.82 42.68 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 86' ' ' VAL . 3.9 mm? -82.56 -179.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.87 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.68 10.32 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.02 -38.7 2.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.9 m -63.79 128.93 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 p -106.67 151.78 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.93 -40.51 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.45 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.19 -44.74 68.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -69.93 -37.33 72.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -55.7 -52.92 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.902 HD13 HD21 ' A' ' 140' ' ' LEU . 13.9 mt -72.75 -13.31 61.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.553 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.9 m-85 -120.2 -7.02 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.3 -51.08 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.442 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 13.2 mm-40 -47.83 -27.6 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.1 -47.33 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.49 -73.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.548 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -134.79 118.89 17.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 62.8 tp -130.68 121.72 26.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -68.94 -42.72 76.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 155.04 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.61 105.49 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.52 124.1 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.564 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.7 p -82.48 144.81 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 115' ' ' LEU . 16.5 t0 -83.47 130.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.96 138.8 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -59.13 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.98 25.38 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -120.47 -29.09 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.778 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.91 17.66 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.29 151.1 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -60.44 109.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -50.75 -25.43 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.37 30.68 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.51 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.9 m -162.04 146.25 12.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.564 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 156.37 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -120.69 136.4 54.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.595 ' CG1' HD11 ' A' ' 101' ' ' LEU . 18.4 t -143.39 140.5 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.3 m-70 -124.25 125.74 44.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 77' ' ' LEU . 64.4 m-85 -102.96 147.67 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 100' ' ' THR . 3.3 mt-10 -78.18 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -140.59 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -93.52 -40.99 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.74 -53.37 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.401 ' H ' ' CG ' ' A' ' 124' ' ' ARG . 64.8 t0 -56.78 -49.77 74.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.603 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.55 -52.88 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -56.24 -35.49 67.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.58 -75.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.32 -24.14 27.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.684 ' HE3' HD12 ' A' ' 149' ' ' LEU . 2.5 ttp -64.46 -61.65 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -72.81 -12.21 60.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -90.33 -24.49 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.56 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.0 m-30 -108.83 -15.96 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.77 109.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.17 18.08 59.97 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.64 20.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.995 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.93 157.35 60.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -127.87 73.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t0 68.2 17.53 9.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.0 38.04 0.58 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.589 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.28 107.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.5 Cg_endo -69.72 135.32 30.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.6 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -133.57 155.57 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 117.71 22.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.45 137.59 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -126.64 139.63 53.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.684 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.0 tt -78.88 129.33 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 149' ' ' LEU . 70.0 t -128.67 135.69 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.5 126.53 29.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.747 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.54 ' C ' ' O ' ' B' ' 105' ' ' TRP . 87.8 p -25.59 111.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -136.7 73.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.6 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.49 149.2 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -24.2 -86.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.43 -178.02 26.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.64 159.03 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -98.21 147.28 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 147' ' ' ILE . 2.7 tp -130.83 106.37 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -94.7 111.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.748 HG12 HD21 ' A' ' 82' ' ' LEU . 6.1 t -92.6 140.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 m -133.04 171.91 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.41 45.34 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.748 HD21 HG12 ' A' ' 79' ' ' VAL . 4.2 mm? -84.26 179.76 7.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.89 174.85 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.44 13.82 12.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -110.45 -10.28 22.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.811 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -101.07 120.41 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -101.54 153.88 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.64 -40.13 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.73 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.22 -42.5 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.811 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.5 mm -71.21 -36.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.612 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.1 tp60 -58.53 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.55 -33.02 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.992 HD13 HD21 ' A' ' 140' ' ' LEU . 16.0 mt -76.96 -12.14 59.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.7 m-85 -119.93 -8.59 9.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.556 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -101.84 -49.4 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 15.4 mm-40 -47.28 -28.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -53.37 -40.79 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.84 -75.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.49 121.88 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.191 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 104' ' ' ALA . 58.7 tp -132.64 118.95 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.1 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.22 142.4 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -134.3 102.93 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 121.48 23.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.5 p -81.87 143.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.6 t0 -79.31 129.56 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.75 133.46 55.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -175.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -93.22 34.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -128.36 -36.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.24 31.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -152.34 156.93 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 110.13 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.89 -25.28 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.969 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . 0.672 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 125.56 32.19 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -161.99 146.96 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 82' ' ' LEU . . . -135.29 152.01 51.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -119.59 133.47 55.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 101' ' ' LEU . 11.7 t -143.46 143.77 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.684 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.7 m-70 -126.64 133.76 50.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 77' ' ' LEU . 56.5 m-85 -113.72 153.54 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -88.7 -14.1 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 156.94 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.856 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -78.61 -36.8 43.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.03 62.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -66.31 -44.4 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.94 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.44 -34.05 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.452 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -58.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.613 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.78 -23.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.513 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.0 ttp -62.02 -60.71 3.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -72.98 -17.66 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -85.35 -20.51 29.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.512 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.2 m-30 -113.08 -14.35 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 111.006 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.82 110.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.8 16.64 52.32 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.54 143.6 26.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.3 Cg_endo -69.86 157.13 61.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.55 81.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.5 t70 73.91 6.58 4.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.55 33.37 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.418 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -162.86 115.11 1.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.77 137.88 36.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.648 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.55 155.2 50.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.32 121.62 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.599 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -94.25 136.17 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -123.8 137.99 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.513 HD13 ' CE ' ' A' ' 132' ' ' MET . 14.1 tp -81.41 126.35 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.93 135.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.15 127.44 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.784 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.737 0.304 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.509 ' C ' ' O ' ' B' ' 105' ' ' TRP . 4.8 t -28.71 112.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -145.5 77.93 1.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.684 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -131.11 151.98 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.27 -86.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.582 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.47 174.98 22.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.83 16.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -94.81 152.55 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.8 tp -139.22 108.9 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.749 HD23 ' CG2' ' A' ' 150' ' ' VAL . 0.5 OUTLIER -97.69 134.77 40.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.797 HG12 HD21 ' A' ' 82' ' ' LEU . 3.5 t -108.1 132.79 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.29 166.5 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 60.87 53.34 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -94.97 -178.98 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.82 169.85 17.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.51 0.31 47.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.19 -11.76 77.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.698 HG13 HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -98.39 164.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 111.132 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 m -135.13 147.55 49.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -56.76 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.74 54.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.1 mm -72.17 -36.5 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.645 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -55.7 -52.67 63.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.84 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.0 -35.87 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 140' ' ' LEU . 14.4 mt -71.88 -11.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.6 m-85 -122.53 -5.19 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.92 -51.04 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.479 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 18.5 mm-40 -49.88 -25.12 2.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -56.13 -31.63 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.0 -82.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -127.18 119.01 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 104' ' ' ALA . 63.9 tp -129.03 117.69 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -41.49 87.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.69 153.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -147.29 109.26 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.48 126.63 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.659 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.6 p -86.54 144.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HB3' HD21 ' A' ' 115' ' ' LEU . 2.2 m-20 -77.4 123.75 26.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -112.84 151.01 30.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.79 -178.35 4.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -88.98 49.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -42.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.63 37.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -152.0 140.46 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 t -61.12 115.75 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -53.52 -26.56 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.15 29.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.574 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.43 ' HA ' HD23 ' A' ' 82' ' ' LEU . 4.4 m -161.72 146.96 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 160.82 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -127.72 137.36 52.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 101' ' ' LEU . 6.8 t -143.38 143.8 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.239 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.665 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.9 m170 -125.02 126.77 45.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.54 149.66 26.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.61 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.0 mt-10 -79.12 -16.13 57.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.622 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 5.8 ptt180 -143.15 176.77 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -92.51 -30.81 15.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.622 ' HB3' ' HE ' ' A' ' 124' ' ' ARG . . . -51.27 -52.42 45.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 4.3 p30 -67.56 -34.07 76.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.16 -60.17 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.5 OUTLIER -59.68 -31.85 69.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.1 mmtt -59.87 -73.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -60.86 -23.78 65.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.461 ' HA ' HG21 ' A' ' 147' ' ' ILE . 7.8 ttp -63.28 -56.49 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -19.07 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.17 -24.57 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.537 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -111.31 -8.59 14.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 108.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.69 15.32 47.19 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.44 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -94.21 146.4 31.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.538 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 54.0 Cg_endo -69.83 158.82 55.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.888 HD22 HD13 ' B' ' 108' ' ' LEU . 1.1 tm? -140.69 86.93 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.1 t0 75.82 5.78 3.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.92 29.58 1.23 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 120.82 1.97 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.79 141.52 45.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.31 155.57 46.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.32 123.53 40.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.61 135.5 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -127.83 134.47 49.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD12 ' A' ' 77' ' ' LEU . 11.1 tp -74.25 132.68 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.749 ' CG2' HD23 ' A' ' 78' ' ' LEU . 45.0 t -127.06 135.77 62.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.32 104.69 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -25.91 113.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -143.86 65.5 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.888 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -118.8 149.69 41.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -34.25 -83.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.769 0.318 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.99 -178.59 19.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.16 158.94 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -95.08 155.9 16.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 149' ' ' LEU . 2.8 tp -139.43 105.21 5.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.0 tp -93.82 116.5 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -97.67 134.3 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.414 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -127.89 170.76 12.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 61.98 47.79 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.915 HD12 HG21 ' A' ' 86' ' ' VAL . 4.3 mm? -89.78 179.58 5.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -124.59 175.05 7.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.16 11.34 10.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.28 -42.34 2.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.915 HG21 HD12 ' A' ' 82' ' ' LEU . 1.2 m -63.94 128.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 t -109.72 155.6 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -57.27 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.22 62.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.12 -45.95 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.697 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.49 -38.7 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.608 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 13.3 tp60 -53.52 -55.23 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -69.45 -40.37 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.948 HD13 HD21 ' A' ' 140' ' ' LEU . 20.0 mt -67.29 -11.8 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.1 m-85 -125.67 0.24 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -103.74 -52.01 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.491 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 31.4 mm-40 -49.9 -24.67 2.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -55.32 -27.67 48.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.98 -80.52 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.74 122.67 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 0.0 111.111 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.741 HD11 ' CG2' ' A' ' 120' ' ' VAL . 40.7 tp -134.76 119.39 18.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -46.66 77.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.15 153.51 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -144.36 105.05 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.17 121.02 24.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.75 144.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.36 125.97 30.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.4 139.28 51.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -173.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -94.13 19.03 9.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -117.77 -27.63 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.48 23.75 2.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -136.85 140.16 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.62 114.43 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -28.74 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.92 31.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.3 m -161.11 146.33 14.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.066 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.86 159.74 40.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.51 128.0 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.741 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.32 141.29 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -115.38 139.46 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 77' ' ' LEU . 36.3 m-85 -111.51 153.6 25.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.46 -13.41 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -142.13 172.58 12.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -91.91 -36.7 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.0 -49.01 61.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -44.19 85.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -55.03 36.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.35 -34.17 73.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.0 mmtt -59.87 -73.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -58.15 -26.49 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.427 ' HA ' HG21 ' A' ' 147' ' ' ILE . 12.2 ttp -62.1 -56.5 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -15.21 60.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -89.91 -17.01 28.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.538 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.7 m-85 -117.22 -15.35 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -53.38 110.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.47 19.73 58.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.422 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.442 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -105.11 145.23 30.35 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.587 0.708 . . . . 0.0 111.085 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.585 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.7 Cg_endo -69.85 157.5 60.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.948 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -134.76 81.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 73.07 7.62 5.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.78 33.91 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.57 115.32 1.03 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.816 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.98 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.245 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.484 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -137.94 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 120.44 25.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.538 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.6 138.86 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -133.17 117.38 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.38 136.18 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.94 135.86 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.27 104.66 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.788 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.649 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.649 ' C ' ' O ' ' B' ' 105' ' ' TRP . 45.4 m -12.69 108.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -114.42 17.68 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -87.52 145.05 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.47 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -50.91 -88.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.613 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.83 0.347 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.33 -175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' ' HE ' ' A' ' 125' ' ' ARG . . . -173.94 172.26 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.12 150.78 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.709 HD13 ' HB1' ' A' ' 128' ' ' ALA . 3.9 tp -133.21 110.56 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.6 tp -97.91 117.69 32.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.827 HG12 HD21 ' A' ' 82' ' ' LEU . 7.8 t -101.58 119.92 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.9 OUTLIER -109.45 168.33 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.4 t30 60.31 56.64 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.827 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -95.67 179.53 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.45 171.44 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 10.94 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.9 -39.02 1.92 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.4 m -62.85 120.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.4 p -100.79 152.26 20.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.67 -45.62 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.17 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -53.32 -42.68 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.9 mm -69.76 -39.04 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -58.38 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.823 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.73 -35.44 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.118 HD13 HD21 ' A' ' 140' ' ' LEU . 32.9 mt -78.58 -11.51 59.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.4 m-85 -120.33 1.25 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -110.41 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 57.9 mm-40 -45.35 -31.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 24.1 m-85 -53.62 -55.35 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.8 -67.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.426 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.72 147.96 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 104' ' ' ALA . 2.7 tt -144.68 108.97 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -62.45 -49.89 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 119.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -117.67 99.07 6.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.71 126.08 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.1 p -85.44 144.5 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 115' ' ' LEU . 1.9 m-20 -76.38 131.15 38.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.791 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -125.19 131.98 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.77 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -95.55 25.36 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -115.76 -28.97 6.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.34 23.66 2.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.408 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -147.06 155.0 41.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.76 121.97 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -58.86 -25.85 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.01 30.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.7 m -161.99 146.36 12.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.836 0.351 . . . . 0.0 111.039 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.02 150.69 51.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -119.89 134.51 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.28 143.1 26.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.02 134.1 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' A' ' 77' ' ' LEU . 35.8 m-85 -112.77 153.22 28.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.8 -10.74 47.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.6 ptp180 -147.97 135.33 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.576 ' HD2' HD21 ' A' ' 149' ' ' LEU . 8.4 tpp85 -61.74 -17.25 55.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.0 -50.66 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -70.15 -42.42 72.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.709 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.46 -55.1 35.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -60.05 -37.15 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.476 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 35.8 mmtt -57.96 -69.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -63.1 -20.48 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.677 ' HE1' HD13 ' A' ' 149' ' ' LEU . 7.5 ttm -63.03 -57.18 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -23.19 59.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.88 -27.86 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.54 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.8 m-85 -106.62 -10.16 16.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.28 108.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.61 18.45 37.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.376 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.451 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -98.64 146.62 31.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.451 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.9 Cg_endo -69.87 157.38 60.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.118 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -132.93 79.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.1 t0 70.65 11.46 7.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.73 37.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -169.03 112.99 0.52 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.968 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.68 138.37 37.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.607 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.18 158.0 45.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.59 117.14 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -93.67 136.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -131.89 135.35 46.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.677 HD13 ' HE1' ' A' ' 132' ' ' MET . 13.6 tp -73.81 129.08 37.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.13 135.13 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.98 134.69 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.727 0.298 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.483 ' C ' ' O ' ' B' ' 105' ' ' TRP . 16.7 p -31.4 107.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -136.98 77.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.671 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.47 150.83 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -22.56 -83.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.492 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.45 173.35 28.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.08 156.03 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 6.4 mtmt -100.91 149.81 23.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.5 tp -132.87 103.46 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -91.68 111.92 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 82' ' ' LEU . 11.2 t -95.34 139.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 117' ' ' THR . 42.1 m -130.22 175.63 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.4 t30 63.83 42.08 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.964 HD12 HG21 ' A' ' 86' ' ' VAL . 4.5 mm? -90.87 -176.69 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 2.98 16.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.7 -45.03 5.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.58 144.42 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -115.93 145.24 43.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.25 -49.77 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.56 94.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -53.74 -45.08 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.9 mm -69.95 -39.71 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.0 tt0 -55.54 -56.05 24.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -66.62 -37.75 85.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 HD21 ' A' ' 140' ' ' LEU . 24.8 mt -71.97 -12.45 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.722 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -122.79 0.92 9.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -108.92 -50.77 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.501 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 0.0 OUTLIER -48.31 -26.85 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -43.2 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.26 -76.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.82 122.08 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.807 HD11 ' CG2' ' A' ' 120' ' ' VAL . 42.2 tp -133.46 127.57 33.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -73.85 -47.5 37.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.32 132.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.768 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.65 101.45 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.79 40.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.27 142.0 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' HD21 ' A' ' 115' ' ' LEU . 5.0 m-20 -73.22 131.15 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.21 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -59.47 -172.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -96.79 26.26 4.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -119.82 -30.39 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.55 23.44 2.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -143.0 138.66 30.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.89 116.83 3.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -52.29 -28.73 20.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.4 31.77 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.387 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.0 m -159.89 147.07 16.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.621 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.14 150.2 50.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.51 122.93 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.807 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -142.62 141.93 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.79 141.03 50.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.508 ' CE1' HD22 ' A' ' 77' ' ' LEU . 29.7 m-85 -109.72 151.01 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -75.83 -12.39 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.48 176.16 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -93.91 -38.75 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.747 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.46 -53.69 27.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -58.28 -46.57 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.687 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.05 -51.38 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -58.79 -34.72 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.47 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.32 -74.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.53 -25.05 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.516 ' HA ' HG21 ' A' ' 147' ' ' ILE . 9.4 ttp -64.48 -56.37 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -15.29 61.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -89.57 -22.22 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.551 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 20.8 m-85 -112.49 -7.75 13.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -53.82 108.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.81 17.2 41.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -96.37 146.73 31.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.4 Cg_endo -69.79 156.93 62.0 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.461 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 1.075 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -136.16 85.22 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.5 t0 73.0 7.94 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.94 34.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.1 117.89 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.54 35.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -135.25 153.97 51.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.16 118.31 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.662 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.98 132.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -126.11 135.3 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.1 135.51 38.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 65.9 t -126.68 135.39 63.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.05 108.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.828 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.501 ' CZ2' ' HB2' ' A' ' 97' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.497 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -30.02 108.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -139.97 73.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.696 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.22 148.59 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -33.14 -83.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.569 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.82 -175.47 21.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.42 174.54 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -104.87 146.09 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.7 tp -132.34 109.09 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.9 tp -97.24 116.82 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.712 HG12 HD21 ' A' ' 82' ' ' LEU . 1.8 t -93.32 130.98 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 m -123.71 165.9 16.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.65 47.6 4.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.739 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -89.43 179.82 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -119.8 173.45 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.45 12.51 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.25 -39.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.795 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.1 m -63.54 121.62 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -103.73 155.21 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.751 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.44 -36.97 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.94 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.69 -43.13 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.795 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -73.1 -40.08 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.21 -48.15 74.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.45 -39.44 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD21 ' A' ' 140' ' ' LEU . 17.9 mt -71.41 -9.55 58.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -122.49 -6.43 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -102.65 -52.46 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.436 ' HB3' ' NE1' ' B' ' 105' ' ' TRP . 50.2 mm-40 -48.68 -25.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.5 m-85 -52.2 -52.63 51.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.34 -72.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.19 115.87 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.831 HD11 ' CG2' ' A' ' 120' ' ' VAL . 30.6 tp -121.02 126.44 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -47.57 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -179.23 124.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -117.34 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . . . -146.64 121.62 10.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.9 p -83.03 145.04 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.13 129.49 34.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -119.81 138.23 53.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -174.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.957 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 27.45 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -118.14 -29.56 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.24 27.55 1.64 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -152.31 157.98 42.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.35 124.6 23.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.81 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.2 30.79 0.83 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.6 m -160.02 146.83 16.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.89 157.8 43.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -133.96 124.52 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.831 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -143.23 142.68 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.444 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.2 m-70 -114.86 140.89 48.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -112.75 155.74 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.08 -13.96 32.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -144.4 145.14 31.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -66.3 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.83 -48.01 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.21 -47.51 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.99 -55.79 20.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -61.16 -34.95 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -57.17 -71.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.626 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -61.97 -24.08 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.439 ' HA ' HG21 ' A' ' 147' ' ' ILE . 8.5 ttp -60.39 -63.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -68.83 -23.94 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -78.31 -22.77 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.557 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-30 -113.3 -0.27 14.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -65.73 109.71 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.64 17.15 48.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.426 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.5 OUTLIER -100.71 141.9 23.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.653 0.739 . . . . 0.0 111.087 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.78 155.79 64.96 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.738 2.292 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.874 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -126.72 74.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 69.59 14.52 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.95 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.11 109.73 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.237 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.671 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -135.21 158.94 43.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.57 120.33 20.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.24 139.22 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -127.73 138.26 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 77' ' ' LEU . 16.9 tp -80.0 127.24 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.52 136.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.04 130.72 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 -179.809 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.516 ' C ' ' O ' ' B' ' 105' ' ' TRP . 1.4 t -28.48 111.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 23.89 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.95 148.94 24.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -37.83 -83.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.8 0.333 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.97 177.99 23.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.574 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.54 166.54 32.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.911 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -132.94 106.74 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -96.05 114.48 26.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -94.62 131.83 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 m -124.22 168.47 12.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 61.53 47.76 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 79' ' ' VAL . 4.4 mm? -90.8 175.38 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -126.79 161.21 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -5.26 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -18.15 72.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -99.11 147.06 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -121.92 158.4 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 -56.39 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.91 58.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.57 -43.29 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' CG1' ' A' ' 86' ' ' VAL . 6.5 mm -71.78 -40.08 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.782 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 11.5 mt-30 -53.28 -54.9 29.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.95 -40.21 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.848 HD13 HD21 ' A' ' 140' ' ' LEU . 18.8 mt -70.06 -10.5 58.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.714 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -125.52 1.36 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.0 -47.88 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 38.4 mm-40 -49.58 -26.58 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 8.4 m-85 -54.2 -29.51 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.32 -80.65 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.97 122.27 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 120' ' ' VAL . 50.2 tp -133.62 109.17 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.93 -48.67 75.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 158.57 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.21 105.59 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.99 122.24 21.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.1 p -84.62 144.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.01 121.04 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.77 158.97 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.27 14.66 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 64.22 24.77 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.84 3.29 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.78 23.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -152.24 112.68 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 t -50.97 122.14 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -25.94 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.51 30.18 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.8 m -161.67 146.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.17 159.05 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.063 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -131.67 127.46 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.98 142.22 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -117.43 139.13 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.528 ' CE1' HD22 ' A' ' 77' ' ' LEU . 46.8 m-85 -112.24 153.08 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.03 -15.67 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 4.3 ptm180 -144.41 140.92 29.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -65.01 -20.36 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.54 -49.56 74.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 -43.73 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.911 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.85 -50.85 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -66.04 -35.19 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 40.3 mmtt -56.69 -64.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.605 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -68.43 -26.38 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 129' ' ' LEU . 11.7 ttp -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -78.92 -29.16 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.21 -18.64 60.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB2' HD13 ' A' ' 147' ' ' ILE . 20.8 m-85 -115.42 -10.88 11.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 108.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.7 17.01 40.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.54 140.89 22.82 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.78 157.27 60.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.848 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -129.07 74.4 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t0 71.45 14.04 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.03 32.74 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 0.0 OUTLIER -162.76 109.4 1.06 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 110.836 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 144' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.68 135.98 32.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.544 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.63 159.09 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.45 121.83 24.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ILE . . . . . 0.528 HD13 ' HB2' ' A' ' 135' ' ' TYR . 1.9 mp -94.4 139.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -128.38 138.33 52.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.8 tp -82.85 131.2 35.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.96 135.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.24 114.36 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 8.5 t -27.71 108.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -134.39 78.97 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LEU . . . . . 0.594 HD13 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -134.11 149.64 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 109' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.59 -85.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.57 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ALA . . . . . 0.512 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.72 0.295 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.17 179.55 7.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.231 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -169.29 148.03 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ptp -151.85 137.6 17.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -170.87 136.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.92 132.2 3.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.82 112.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -118.55 -178.29 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -152.43 150.3 29.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.5 mtp -125.59 169.37 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.75 55.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.559 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -116.75 138.42 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.01 160.11 46.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.63 26.34 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.753 2.302 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 56.22 44.46 24.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -60.61 151.11 29.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.48 175.37 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.11 114.85 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -126.44 176.75 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.56 101.54 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.67 164.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -135.78 151.73 50.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -171.07 164.19 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -122.09 176.93 5.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.39 -168.41 29.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.0 p -154.98 146.72 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.64 175.43 35.42 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.403 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.76 145.43 5.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.93 146.65 4.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.33 147.85 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 149.17 44.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.3 p -89.39 125.0 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.28 -31.04 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.69 -179.92 26.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.14 160.16 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -101.4 146.14 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.58 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.7 tp -129.71 110.38 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -98.24 110.92 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.678 HG12 HD21 ' A' ' 82' ' ' LEU . 4.6 t -93.01 141.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -135.42 173.24 11.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 61.65 40.34 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -80.01 -179.74 7.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 175.11 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.0 12.54 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -105.18 -39.2 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.941 HG21 HD12 ' A' ' 82' ' ' LEU . 2.0 m -63.43 129.34 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -109.86 154.56 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.33 -51.2 6.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.94 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -52.56 -47.86 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.768 HD11 ' HB ' ' A' ' 86' ' ' VAL . 3.7 mm -69.49 -38.06 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.76 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.3 -61.85 2.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -64.58 -40.94 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.09 HD13 HD21 ' A' ' 140' ' ' LEU . 25.8 mt -65.04 -14.41 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.2 m-85 -124.56 0.88 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.56 -53.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.465 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 8.4 mm-40 -49.67 -25.44 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -53.56 -33.57 55.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.9 -76.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -128.71 123.28 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.158 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 120' ' ' VAL . 60.6 tp -132.05 115.32 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.42 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 155.1 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.76 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.75 97.35 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.45 123.47 31.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -87.02 142.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.18 129.56 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -124.87 130.78 53.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -59.1 -175.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 t -117.52 -24.01 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.71 24.05 4.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -143.87 142.23 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 115.1 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -28.92 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.77 33.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -157.85 146.94 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.163 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -133.51 154.73 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -131.5 125.55 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.66 140.49 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 4.4 m170 -114.38 141.39 47.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 77' ' ' LEU . 43.4 m-85 -113.0 149.46 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 100' ' ' THR . 1.4 mt-10 -79.03 -15.71 57.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.665 ' HB2' HG23 ' A' ' 71' ' ' VAL . 8.3 ptm180 -141.24 175.08 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -91.57 -35.76 14.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.37 -48.87 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -66.58 -42.95 86.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.46 -60.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.09 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.823 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.3 OUTLIER -57.42 -74.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.23 -21.76 62.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.113 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.8 ttm -61.75 -64.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -70.59 -20.7 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.681 ' CD ' HG21 ' B' ' 104' ' ' VAL . 21.3 mm100 -79.61 -26.17 41.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.9 m-85 -110.48 -5.0 15.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.1 108.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.97 17.2 43.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -96.79 147.23 32.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 111.16 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.1 Cg_endo -69.73 157.75 59.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.611 2.208 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.09 HD21 HD13 ' A' ' 94' ' ' LEU . 1.3 tm? -136.93 83.79 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 t70 73.62 6.52 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.07 34.43 0.68 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.416 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -164.26 116.93 0.99 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 137.95 36.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.555 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.78 160.23 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -129.62 120.99 26.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.618 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.92 137.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -125.51 138.52 53.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.504 HD13 ' CE ' ' A' ' 132' ' ' MET . 20.4 tp -81.43 125.99 31.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.29 136.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 155' ' ' ASP . . . -75.97 107.77 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -168.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.42 -6.54 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.8 pp -117.11 22.02 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.417 ' CB ' ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -99.78 40.76 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.68 177.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -137.06 45.76 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -110.35 74.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -82.48 167.96 17.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -117.94 165.11 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -106.09 27.63 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -55.69 151.73 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 CA-C-O 121.423 0.457 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.03 37.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.37 104.99 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.35 145.1 14.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.823 HG12 ' HD3' ' A' ' 130' ' ' LYS . 11.6 m -60.58 -178.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.606 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -93.29 -18.93 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.606 ' C ' ' O ' ' B' ' 105' ' ' TRP . 62.4 m -18.48 109.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 65.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.608 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -133.11 149.11 52.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.475 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -45.23 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.608 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -67.26 115.27 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 115.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -166.1 67.23 1.06 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' PRO . . . . . 0.535 ' HD3' HG21 ' A' ' 138' ' ' VAL . 54.0 Cg_endo -69.78 172.09 13.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -140.79 94.22 2.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 29.8 p -51.81 164.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -140.56 160.84 57.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 175.18 8.38 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.748 2.298 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -145.28 150.11 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -126.27 119.65 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -149.15 106.89 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.65 148.84 20.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.49 2.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.412 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.527 ' HG2' HG22 ' B' ' 124' ' ' VAL . 0.0 OUTLIER -162.01 132.86 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' VAL . . . . . 0.527 HG22 ' HG2' ' B' ' 123' ' ' LYS . 28.7 m 35.18 46.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.99 172.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.38 146.73 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 29.5 tp -109.73 109.8 20.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.7 156.86 2.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.73 23.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.729 2.286 . . . . 0.0 112.309 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 167.81 23.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.265 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.16 42.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.757 2.304 . . . . 0.0 112.323 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 7.1 t -115.78 153.26 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -104.3 129.56 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -162.56 169.0 20.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.96 71.09 1.38 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.56 0.695 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.18 34.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -86.25 131.58 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.4 mmm . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 55.54 49.1 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 m -74.15 165.58 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.89 179.35 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.1 p -138.79 -179.48 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.57 -165.3 11.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.93 -151.87 5.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -139.88 168.97 18.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -140.21 166.84 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.2 ttm -163.08 168.23 21.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.46 72.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -111.92 147.33 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.12 160.68 25.68 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -37.4 9.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -172.17 110.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -27.29 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -94.04 174.8 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -137.43 -173.55 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -143.33 -176.41 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -160.64 124.16 3.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.98 168.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -142.37 175.48 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -67.74 -175.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -162.12 145.9 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.34 -173.98 13.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.4 m -147.89 169.33 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.64 -155.55 9.72 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.414 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' HA2' HD13 ' A' ' 129' ' ' LEU . . . 147.99 155.08 6.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.28 159.43 9.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.543 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -63.79 -174.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.73 -11.29 2.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -56.32 142.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.19 -79.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t -121.9 -22.81 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.0 173.09 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.87 159.7 36.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.6 OUTLIER -98.71 150.09 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.656 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.97 112.44 10.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.4 tp -99.19 120.05 38.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.724 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -98.4 126.16 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.78 167.03 11.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.23 53.49 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 86' ' ' VAL . 4.0 mm? -94.15 179.02 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.71 172.0 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.02 9.99 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.2 -40.88 2.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -64.08 119.55 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.17 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -98.88 148.61 23.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.7 -40.55 4.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.5 72.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -53.52 -44.03 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.2 mm -71.03 -35.49 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 12.4 tp60 -57.91 -51.42 69.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.74 -34.43 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.007 HD13 HD21 ' A' ' 140' ' ' LEU . 15.2 mt -73.71 -13.39 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.6 m-85 -119.74 -7.17 10.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.532 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.99 -49.58 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 48.9 mm-40 -49.46 -26.33 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -54.88 -30.22 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.02 -78.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -130.39 121.63 26.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.772 0.32 . . . . 0.0 111.091 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 104' ' ' ALA . 64.3 tp -134.14 120.45 20.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 155.91 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -151.83 101.5 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.55 126.15 30.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.549 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.4 p -84.09 142.96 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 115' ' ' LEU . 6.3 m-20 -75.52 130.48 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 114' ' ' SER . 2.6 m-85 -123.17 137.6 54.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.39 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -93.36 18.69 9.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -116.9 -25.64 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.66 23.49 3.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -136.37 138.62 41.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 108' ' ' TYR . 1.4 t -60.07 115.47 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.33 -28.83 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.37 29.4 0.92 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 6.4 m -161.32 146.24 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.549 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -132.55 157.08 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -122.18 135.98 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.612 ' CG1' HD11 ' A' ' 101' ' ' LEU . 61.8 t -143.23 142.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.23 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.622 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.7 m-70 -125.59 126.86 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 77' ' ' LEU . 55.6 m-85 -105.82 149.58 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.7 mt-10 -82.1 -11.91 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -142.01 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -91.91 -36.68 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.98 -50.5 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -41.89 96.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HE3' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -56.8 -33.94 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.762 ' CD ' HG12 ' B' ' 104' ' ' VAL . 53.1 mmtt -61.13 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.32 -23.78 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 149' ' ' LEU . 10.4 ttp -63.7 -63.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' HD12 ' A' ' 129' ' ' LEU . 13.0 ptpt -65.53 -22.29 66.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.741 ' CD ' HG21 ' B' ' 104' ' ' VAL . 20.0 mm100 -82.71 -24.42 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-85 -111.71 8.08 20.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -75.45 109.33 8.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.47 14.61 55.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.565 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.0 OUTLIER -100.15 146.27 31.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.74 158.6 56.44 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 94' ' ' LEU . 1.1 tm? -136.19 82.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.1 t0 74.73 5.86 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.46 33.49 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.58 117.48 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.4 Cg_endo -69.7 137.93 36.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.515 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -138.06 157.64 45.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.74 120.23 24.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.555 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.35 139.27 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -130.68 136.81 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 77' ' ' LEU . 11.5 tp -75.63 127.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.1 136.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.692 ' HB1' ' OD2' ' A' ' 155' ' ' ASP . . . -72.91 140.16 47.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.57 -168.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -1.68 41.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -113.41 21.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.187 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.692 ' OD2' ' HB1' ' A' ' 151' ' ' ALA . 38.2 p30 -86.86 50.53 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.813 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -173.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -124.53 58.04 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -145.78 168.96 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -118.83 -49.88 2.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -69.38 85.29 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -116.21 -26.73 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -66.01 113.85 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 121.393 0.44 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.8 21.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.06 135.31 54.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.91 91.62 0.65 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -132.83 124.15 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.808 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.762 HG12 ' CD ' ' A' ' 130' ' ' LYS . 13.0 m -65.05 144.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.556 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -59.79 -19.98 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.556 ' C ' ' O ' ' B' ' 105' ' ' TRP . 60.0 p -23.86 110.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -139.22 74.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.62 149.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.417 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -42.13 -89.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.573 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -67.89 115.69 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -169.82 110.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 157.75 23.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.2 p -135.76 170.97 15.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 5.8 t 57.68 25.85 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 27.7 t -114.46 73.3 2.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 172.71 12.06 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.39 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -52.91 143.13 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -74.82 -172.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -103.55 65.97 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.76 110.52 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.56 -116.52 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.551 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -163.17 143.01 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.19 142.84 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 60.32 46.16 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -62.19 115.96 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.34 128.74 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -173.14 72.18 0.39 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 167.76 23.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.77 23.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 153.5 68.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.1 p -141.9 123.27 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.65 142.71 50.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.35 38.61 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -169.28 71.17 0.7 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.22 56.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -97.41 143.77 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.669 0.271 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.95 -175.91 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -171.16 122.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -172.75 157.66 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -165.41 154.27 12.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.62 150.96 5.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.47 146.0 6.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -172.53 146.61 1.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.698 0.285 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.29 178.4 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -173.49 175.41 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.26 73.03 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -101.64 139.3 37.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.65 160.13 37.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 110.806 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -24.92 28.7 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.32 48.45 7.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -77.56 141.02 39.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.93 176.47 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.51 120.85 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -162.41 157.49 22.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -165.13 98.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.32 170.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.82 171.86 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -153.04 155.02 36.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -127.07 -59.06 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.27 168.63 24.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 39.5 m -97.59 -70.28 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.06 161.35 10.03 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.35 160.81 25.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.37 113.72 3.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -151.39 171.18 17.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.98 49.49 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.8 p -70.6 143.62 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.42 -79.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.549 ' OG1' HD13 ' A' ' 154' ' ' ILE . 0.2 OUTLIER -120.27 -19.5 7.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.661 ' O ' HD11 ' A' ' 154' ' ' ILE . . . 141.82 -177.25 21.47 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.29 159.03 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 1.8 mtmt -98.44 147.9 24.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.11 110.47 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.1 tp -98.0 116.32 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -95.56 130.97 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.253 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.416 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.2 m -123.13 168.38 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 60.22 49.45 7.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.756 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -88.77 178.85 6.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -119.06 166.73 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.2 6.88 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.05 -41.88 2.53 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.406 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.728 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.7 m -63.02 126.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.5 p -108.33 156.25 19.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.38 -55.15 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.57 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -53.1 -45.73 68.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.83 -38.03 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.6 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -54.61 -54.37 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -68.55 -40.97 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.92 HD13 HD21 ' A' ' 140' ' ' LEU . 17.8 mt -68.12 -12.51 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.674 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.4 m-85 -123.07 -1.58 8.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.73 -52.98 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.449 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 36.1 mm-40 -48.42 -25.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -52.53 -43.74 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 118.36 20.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 120' ' ' VAL . 41.3 tp -128.05 124.41 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -71.81 -43.67 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.559 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -176.61 151.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -143.44 106.01 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.81 119.79 19.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.5 p -84.01 144.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.566 ' HB3' HD21 ' A' ' 115' ' ' LEU . 15.8 m-20 -79.04 126.36 30.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -118.36 141.4 48.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -172.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -93.59 17.99 10.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.39 -26.66 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.84 22.79 3.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -134.61 138.19 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 113.41 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.55 -29.84 18.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 32.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.4 m -161.32 145.97 13.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.94 158.01 45.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -130.17 126.85 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.763 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.46 141.32 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.44 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.1 m-70 -117.62 139.13 51.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -109.34 152.81 24.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.77 -17.0 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.453 ' HB2' HG23 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -138.46 173.71 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.02 -37.86 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.477 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.12 -48.5 61.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.88 -40.41 97.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.0 -61.23 2.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.8 -32.06 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.836 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.3 OUTLIER -60.82 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.04 -24.09 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.45 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.9 ttp -63.92 -53.23 53.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -76.22 -20.28 57.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.763 ' CD ' HG21 ' B' ' 104' ' ' VAL . 20.8 mm100 -85.06 -20.5 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.515 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -113.5 -10.86 13.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -52.04 108.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 57.87 18.73 33.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.75 143.17 25.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.636 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.4 Cg_endo -69.93 158.43 56.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.92 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -130.45 74.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 1.8 t70 69.75 13.83 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.5 36.36 0.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.59 109.31 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.3 Cg_endo -69.7 136.64 33.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.625 2.216 . . . . 0.0 112.274 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.595 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.95 160.27 38.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.32 121.45 23.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.2 138.54 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -126.42 138.52 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.2 tp -83.96 126.36 32.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.27 135.95 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.16 122.87 23.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.0 p -81.23 -179.98 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.808 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . 0.483 ' O ' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -63.49 -20.14 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.661 HD11 ' O ' ' A' ' 74' ' ' GLY . 2.7 pp -90.58 -6.02 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -93.98 40.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 153' ' ' GLN . 3.9 mm? -102.04 177.95 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -95.96 24.73 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -130.83 179.76 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 63.16 57.33 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -76.31 -177.42 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -108.09 38.56 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -135.83 96.79 3.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 121.393 0.44 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 160.45 49.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.357 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.3 mp -121.28 153.86 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.82 88.78 1.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.87 129.61 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 110.846 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.836 HG12 ' HD3' ' A' ' 130' ' ' LYS . 21.0 m -95.2 146.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.49 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -67.21 -19.39 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.966 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.49 ' C ' ' O ' ' B' ' 105' ' ' TRP . 50.1 p -29.64 110.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.18 56.78 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.588 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -117.36 148.9 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -43.95 -90.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.636 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -63.86 116.37 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -173.98 153.07 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.91 142.12 15.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 152.03 69.7 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 60.5 m -63.21 175.12 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -125.05 105.3 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.87 160.17 4.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.252 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -131.38 -68.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -55.7 105.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -165.11 159.49 17.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.9 147.96 17.73 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -175.83 -153.81 10.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.8 126.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.1 m -150.61 -179.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.41 124.79 16.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -162.15 155.8 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 175.69 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.62 157.53 78.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.491 0.663 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.8 23.43 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.604 2.203 . . . . 0.0 112.402 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.8 167.68 23.79 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 131.04 20.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 15.4 t -91.18 164.25 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -131.02 154.09 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.4 -178.99 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.45 157.55 65.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.476 0.655 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.86 137.68 35.75 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.648 2.232 . . . . 0.0 112.293 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.88 152.19 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.71 -39.62 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.36 112.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -122.55 124.43 43.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -150.54 169.17 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -157.62 7.23 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 172.23 28.76 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.569 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -141.71 164.55 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -166.55 157.57 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -171.92 153.2 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.2 66.37 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -107.03 147.46 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.51 160.6 13.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -26.09 27.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.216 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.76 100.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 173.29 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.78 162.92 13.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.27 137.38 32.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -174.13 158.15 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -167.08 115.28 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 173.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -174.61 147.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.47 146.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -146.19 -176.8 5.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.99 110.85 0.24 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.29 163.13 16.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.22 -144.98 9.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.545 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.01 -161.96 16.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.47 -120.36 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -179.85 162.71 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 168.1 60.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.417 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 124' ' ' ARG . 7.7 p -66.21 138.5 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 111.074 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.73 -79.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.59 -21.96 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.48 -176.74 22.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.81 156.27 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 147.17 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.9 tp -129.86 106.15 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -92.91 111.92 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 1.9 t -91.67 142.44 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 m -136.46 171.05 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.0 t30 57.25 46.86 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -86.03 176.52 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' A' ' 143' ' ' ARG . 25.5 t0 -113.97 166.71 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.51 7.57 14.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.59 -41.61 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.781 ' HB ' HD11 ' A' ' 91' ' ' ILE . 2.0 m -63.34 123.89 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -105.34 155.38 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.5 -41.54 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.62 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.91 -43.41 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -70.99 -38.87 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.776 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.41 -52.11 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -71.3 -37.92 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.967 HD13 HD21 ' A' ' 140' ' ' LEU . 14.3 mt -70.67 -11.92 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.585 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.1 m-85 -121.98 -6.41 8.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.2 -50.92 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 28.2 mm-40 -47.82 -27.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.25 -38.28 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 166.72 -77.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.595 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.74 120.3 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' CG1' ' A' ' 120' ' ' VAL . 65.5 tp -131.74 123.53 27.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -71.23 -43.07 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.35 158.26 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.22 98.08 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.16 120.44 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.6 p -82.25 143.89 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 19.6 t0 -78.68 130.39 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.05 130.33 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.22 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -94.58 27.63 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -118.83 -30.82 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.14 28.98 1.27 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -153.65 155.02 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -64.99 110.74 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.5 -25.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.654 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.58 35.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -162.14 147.11 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -137.1 155.95 48.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -124.37 132.78 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.691 ' CG1' HD11 ' A' ' 101' ' ' LEU . 21.7 t -142.98 142.76 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.8 m-70 -124.09 134.09 53.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.5 m-85 -113.77 150.25 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -82.33 -15.07 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB2' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -137.23 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.3 ttm-85 -91.37 -37.74 13.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.81 -48.93 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.24 -41.95 99.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.11 -61.92 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -54.36 -31.98 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.839 ' HD3' HG12 ' B' ' 104' ' ' VAL . 1.5 mmpt? -62.07 -76.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.02 -22.72 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.608 ' CE ' HD13 ' A' ' 149' ' ' LEU . 13.2 ttp -65.93 -55.35 17.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -72.93 -19.13 61.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.751 ' CD ' HG21 ' B' ' 104' ' ' VAL . 19.5 mm100 -87.16 -23.15 24.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.787 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.507 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.4 m-30 -110.79 -4.99 15.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 108.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.87 36.47 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.668 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -99.58 146.63 32.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.705 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.88 161.95 44.01 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.559 2.173 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.967 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -136.12 75.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 70.91 14.31 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.69 36.85 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -168.09 112.0 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.2 Cg_endo -69.62 138.88 39.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.35 158.02 45.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.13 118.83 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.507 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.46 138.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -126.15 138.03 53.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.9 tp -81.65 129.18 34.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 40.7 t -127.03 132.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.03 103.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -177.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.01 -7.0 50.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.12 21.06 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 40.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.61 177.29 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.49 63.68 0.97 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -111.12 146.73 36.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -139.48 137.31 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -106.55 159.46 16.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -89.84 -26.85 20.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 147.83 51.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 121.391 0.439 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.06 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.77 105.3 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.56 104.0 1.06 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -135.41 147.88 49.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.383 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.839 HG12 ' HD3' ' A' ' 130' ' ' LYS . 18.5 m -74.58 141.14 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.557 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -61.57 -19.15 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.958 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.557 ' C ' ' O ' ' B' ' 105' ' ' TRP . 47.4 t -24.44 112.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -134.45 67.67 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.723 HD22 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.96 149.75 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -27.91 -84.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.502 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -106.38 116.8 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 138' ' ' VAL . 4.3 ppt_? -140.8 13.43 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 65.37 68.16 0.72 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.661 0.743 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.06 22.57 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.638 2.225 . . . . 0.0 112.43 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 t -145.64 171.38 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 85.9 m -129.57 174.52 9.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.96 160.44 29.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -174.75 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -140.73 -172.48 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -166.97 176.5 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -143.37 165.72 26.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.0 158.3 26.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.435 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.19 29.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.424 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.69 150.22 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 85.3 t -149.72 144.06 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -149.64 175.27 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -177.12 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.646 HD22 ' C ' ' B' ' 127' ' ' LEU . 0.0 OUTLIER -170.66 169.34 7.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLN . . . . . 0.553 ' N ' HD22 ' B' ' 127' ' ' LEU . 35.4 tt0 -134.11 137.41 28.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.548 0.689 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 167.82 23.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.628 2.219 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.61 23.91 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.793 2.329 . . . . 0.0 112.296 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 157.51 60.27 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.406 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 12.1 m -120.11 132.25 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.116 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -140.86 150.53 43.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.63 51.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -153.51 71.94 6.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 138.67 38.05 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.653 2.235 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -114.58 145.9 41.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.037 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.837 0.351 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.39 175.7 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -151.7 166.92 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.2 tpp -141.35 118.49 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -59.83 -45.99 90.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.46 145.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.537 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.51 74.0 0.15 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -144.56 120.15 10.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -147.73 135.45 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -164.23 148.07 9.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.39 67.01 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.606 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -122.26 147.54 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.54 160.05 36.17 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.93 -44.21 2.09 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.623 2.215 . . . . 0.0 112.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.85 107.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -115.96 52.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -120.02 111.17 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.31 131.55 35.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -134.11 154.22 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -166.9 99.3 0.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 169.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -128.07 161.56 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -154.14 172.94 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -175.79 163.43 2.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.5 173.32 43.76 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -130.08 -69.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 -129.26 9.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.59 144.33 13.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 158.99 123.15 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.46 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.7 159.34 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.66 71.12 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.423 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.3 p -61.15 140.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.73 -80.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.07 -19.66 7.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.38 -178.16 20.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.28 153.85 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -95.25 149.7 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.597 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.6 tp -133.65 109.93 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 tp -97.44 112.1 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 82' ' ' LEU . 6.3 t -93.65 140.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 117' ' ' THR . 18.2 m -134.18 175.39 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.0 t30 59.89 44.73 13.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -87.55 177.16 7.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.56 173.88 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 8.59 26.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -95.63 -9.34 57.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.65 164.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -135.63 150.66 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.39 -57.9 3.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.58 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -53.45 -44.02 68.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.7 mm -71.22 -36.13 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.641 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -56.55 -52.11 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.57 -33.94 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.934 HD13 HD21 ' A' ' 140' ' ' LEU . 14.0 mt -73.36 -12.67 60.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -121.91 -6.55 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -99.91 -48.33 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 17.2 mm-40 -50.41 -25.08 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -56.59 -29.76 62.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.51 -81.02 0.16 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 119.1 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 67.9 tp -130.04 119.32 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -65.17 -43.95 90.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 156.47 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -149.53 104.24 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.71 122.79 22.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -83.69 144.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 115' ' ' LEU . 28.1 m-20 -80.38 123.25 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.34 152.05 26.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -168.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 61.7 mmt-85 -95.58 29.76 2.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -131.58 -41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 135.22 37.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -152.66 142.85 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -59.48 115.85 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.36 -24.29 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.84 30.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.5 m -162.0 146.12 12.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.712 0.291 . . . . 0.0 111.13 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -137.35 155.95 48.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 101' ' ' LEU . 15.1 t -143.59 143.0 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.637 ' O ' HD12 ' A' ' 101' ' ' LEU . 8.5 m-70 -125.53 131.25 52.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.539 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.7 m-85 -110.1 149.09 30.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.12 -14.0 58.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.511 ' HB2' HG23 ' A' ' 71' ' ' VAL . 10.3 ptp180 -142.09 176.94 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.922 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -92.78 -37.71 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.04 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.53 -48.12 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -56.12 24.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -57.22 -36.3 70.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.705 ' CD ' HG12 ' B' ' 104' ' ' VAL . 3.5 mmtm -59.35 -72.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.13 -24.34 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.45 -53.66 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -19.74 58.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.73 ' CD ' HG21 ' B' ' 104' ' ' VAL . 14.1 mm100 -85.47 -21.19 28.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.4 m-30 -111.6 -13.56 13.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 109.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.12 18.08 40.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.406 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.687 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -98.14 146.1 30.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.687 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.6 Cg_endo -69.77 156.34 63.56 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.934 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -136.87 85.06 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.2 t0 75.64 5.52 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.75 31.24 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.54 118.82 1.52 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.8 Cg_endo -69.81 139.23 39.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.528 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.37 159.56 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.01 122.83 33.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.96 134.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -121.84 138.87 54.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 77' ' ' LEU . 22.6 tp -84.81 128.62 34.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.0 134.21 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.31 110.93 4.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -169.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -78.81 -5.39 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.21 22.97 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -108.36 42.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.35 177.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.33 54.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -123.2 165.29 17.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -134.7 -175.3 3.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -100.16 149.54 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -112.47 -26.49 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -70.31 150.38 46.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-O 121.325 0.403 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -12.95 34.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.598 2.199 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.95 151.22 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.023 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.29 91.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -146.33 145.83 30.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.73 HG21 ' CD ' ' A' ' 134' ' ' GLN . 14.3 m -62.6 -177.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.56 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -96.36 -18.63 19.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.993 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.56 ' C ' ' O ' ' B' ' 105' ' ' TRP . 81.6 p -24.53 112.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.6 62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.48 150.84 48.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.62 -83.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.503 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -95.64 125.64 40.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.402 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -172.66 164.4 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 64.1 90.09 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.634 0.73 . . . . 0.0 110.941 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.08 13.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -75.3 78.47 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 97.4 m -119.37 172.01 7.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.94 160.24 55.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 -171.09 0.43 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.43 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.06 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -157.03 177.59 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -58.73 104.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.75 150.45 22.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.07 -132.92 0.31 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.41 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.38 168.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -131.96 139.4 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.41 132.09 48.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -82.61 135.06 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.67 111.79 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -132.6 72.13 78.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.4 ' HA ' ' HD2' ' B' ' 130' ' ' PRO . 53.6 Cg_endo -69.77 112.24 3.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 129' ' ' PRO . 53.8 Cg_endo -69.7 167.81 23.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.426 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 122.31 8.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.755 2.303 . . . . 0.0 112.261 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 9.8 t -91.12 143.57 26.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -134.9 130.61 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -131.84 145.29 51.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -108.26 137.5 19.91 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.8 147.44 62.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.756 2.304 . . . . 0.0 112.267 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.87 151.34 42.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.855 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.864 0.364 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.24 122.16 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m -91.12 141.01 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.99 -59.94 3.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -106.0 139.08 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.79 121.3 5.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.502 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.12 115.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.433 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -114.32 171.12 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -137.92 160.14 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -141.57 157.68 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 70.68 0.17 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -107.38 147.09 30.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.26 160.06 45.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -19.01 36.97 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.842 2.361 . . . . 0.0 112.256 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 56.73 42.14 27.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -89.31 106.46 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -132.93 136.99 46.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -111.74 43.55 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -141.54 165.73 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -144.53 91.56 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.8 170.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.01 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.43 -178.51 5.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.51 141.7 49.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -153.12 170.5 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.28 -170.69 16.96 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.4 p -166.99 -177.5 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.336 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.97 162.72 23.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.5 158.52 9.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.67 -141.51 3.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.55 164.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.38 -21.76 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 126' ' ' ALA . 3.5 t -88.45 114.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.03 -79.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -15.7 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.43 174.51 27.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.4 155.56 24.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.945 0.402 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 4.3 mtmt -98.86 146.17 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.032 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.2 tp -128.34 109.48 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -100.38 109.69 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.696 HG22 HG13 ' A' ' 147' ' ' ILE . 5.6 t -91.37 140.31 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 45.7 m -133.05 174.34 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 61.79 41.85 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -83.77 175.68 9.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -128.68 174.57 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 113' ' ' ARG . 0.5 OUTLIER -89.31 13.41 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.441 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -103.4 -6.43 44.55 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.48 164.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -138.09 150.07 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.33 -55.92 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.74 -46.6 59.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.9 -44.55 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' CG1' ' A' ' 86' ' ' VAL . 4.7 mm -71.56 -37.46 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 4.8 mt-30 -53.38 -55.79 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.2 -38.71 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.86 HD13 HD21 ' A' ' 140' ' ' LEU . 14.6 mt -68.95 -11.54 60.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.665 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.4 m-85 -125.57 -1.44 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -103.3 -49.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.8 mm-40 -48.56 -26.35 2.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.0 m-85 -53.77 -31.63 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.81 -78.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.419 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -124.6 119.76 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.194 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' CG1' ' A' ' 120' ' ' VAL . 62.2 tp -130.9 111.19 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -56.27 -47.22 79.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.64 153.08 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -142.05 113.78 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.84 121.01 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.0 p -82.15 144.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.36 125.51 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -110.61 137.18 48.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -59.64 -171.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -93.16 24.03 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -119.01 -29.14 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.74 22.17 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -142.11 149.86 40.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -55.37 111.12 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -53.56 -23.34 10.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.615 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.3 29.24 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.2 m -162.42 146.53 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.75 152.03 50.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -118.11 134.73 54.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.731 ' CG1' HD11 ' A' ' 101' ' ' LEU . 12.1 t -144.13 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.66 ' O ' HD12 ' A' ' 101' ' ' LEU . 8.4 m-70 -124.3 136.06 53.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.593 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.7 m-85 -115.35 148.43 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HG3' HG22 ' A' ' 100' ' ' THR . 2.4 mt-10 -79.55 -14.2 59.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.586 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 5.9 ptm180 -146.22 138.58 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.483 ' HE ' HD21 ' A' ' 149' ' ' LEU . 0.1 OUTLIER -62.2 -19.71 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -61.13 -49.79 75.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.21 -42.07 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.032 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.06 -50.88 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -66.12 -34.96 79.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.827 ' HD3' HG12 ' B' ' 104' ' ' VAL . 2.6 mttt -57.56 -65.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -65.39 -26.87 68.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.654 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.5 ttp -58.94 -58.62 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.45 -25.23 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.714 ' CD ' HG21 ' B' ' 104' ' ' VAL . 69.2 mm-40 -77.39 -20.3 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.568 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.5 m-85 -115.2 -6.33 12.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 108.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.2 14.74 48.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.558 HG22 ' H ' ' B' ' 112' ' ' ARG . 1.2 t -91.59 143.15 27.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.7 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.594 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.1 Cg_endo -69.92 157.52 59.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -134.11 82.0 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.463 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.5 m-20 74.03 7.68 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.57 30.35 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.441 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -158.94 116.62 1.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.68 138.52 38.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 2.228 . . . . 0.0 112.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.568 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.65 155.59 49.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.696 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -94.45 138.94 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -127.47 135.74 50.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.654 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.5 tp -77.23 133.81 38.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 42.7 t -126.7 135.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.91 123.5 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.4 p -78.86 -174.45 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -98.72 -5.7 30.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -113.16 15.88 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -108.63 40.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 156' ' ' LEU . 4.0 mm? -100.01 177.43 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.35 44.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -122.16 117.16 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -158.11 158.99 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -95.93 135.76 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -114.17 37.91 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -83.79 89.0 7.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.779 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.347 0.415 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -24.68 29.39 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.293 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.96 153.73 19.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.05 95.34 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.423 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 45.9 p -154.15 147.13 24.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.827 HG12 ' HD3' ' A' ' 130' ' ' LYS . 13.3 m -59.25 -177.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.558 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -96.91 -19.76 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.558 ' C ' ' O ' ' B' ' 105' ' ' TRP . 98.3 p -23.08 112.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -144.82 77.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.54 148.87 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.95 -82.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.419 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.594 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -78.34 121.2 24.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.13 116.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.558 ' H ' HG22 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -52.21 154.11 4.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.481 0.657 . . . . 0.0 110.877 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 159.11 54.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.99 156.2 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 8.0 p -157.42 144.83 18.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 8.8 t -173.35 75.4 0.39 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.696 0.76 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 167.98 22.75 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.41 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -138.0 -172.49 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -57.24 149.82 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -157.91 164.0 37.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.16 128.25 4.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.561 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.77 -170.51 17.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.44 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 92.9 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.51 144.66 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.98 178.43 6.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.25 165.02 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 38.0 tp -143.03 134.12 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.99 157.43 17.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 167.67 23.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.774 2.316 . . . . 0.0 112.412 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.81 23.44 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.586 2.191 . . . . 0.0 112.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 127.6 14.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.23 120.92 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 148.0 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.28 126.31 28.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.89 69.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.462 0.648 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.76 40.85 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.31 145.23 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.794 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.892 0.377 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.1 143.54 50.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -175.64 131.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 ttt -169.32 137.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.6 p -145.63 166.93 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.84 134.82 1.95 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.65 -147.71 10.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.387 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -172.25 155.42 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -154.34 173.87 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mtt -150.34 159.29 44.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.39 70.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.66 147.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.25 160.61 30.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -26.33 27.35 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.89 48.12 22.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.43 107.3 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -131.7 145.15 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -177.6 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -152.65 168.92 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.14 72.07 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 60' ' ' LEU . 3.0 mt -57.15 157.67 5.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.98 168.22 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -171.04 176.87 3.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -166.55 172.99 10.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.64 176.24 47.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 p -140.35 -173.68 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.76 -143.78 8.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.479 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.35 108.2 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.52 -160.99 10.02 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -107.55 -173.67 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.64 -90.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.16 143.48 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.84 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 t -120.35 -24.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.21 176.87 25.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.98 36.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.385 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.37 143.48 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -131.37 113.25 13.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.0 tp -102.08 116.04 31.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.655 HG12 HD21 ' A' ' 82' ' ' LEU . 1.7 t -90.46 134.13 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -126.98 167.81 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 61.7 43.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -84.74 178.17 7.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.73 174.11 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.88 11.7 12.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.13 -41.08 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.847 HG21 HD12 ' A' ' 82' ' ' LEU . 2.5 m -63.56 125.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -107.72 156.54 18.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.72 -40.09 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.9 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -71.79 -40.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.688 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.7 -53.32 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.14 -41.66 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 140' ' ' LEU . 21.2 mt -68.15 -11.02 58.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -120.99 -8.52 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.62 -52.75 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.9 mm-40 -47.19 -27.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.35 -40.64 65.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.64 -76.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 120.45 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 120' ' ' VAL . 67.7 tp -131.87 125.53 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 121' ' ' HIS . 5.1 mtmm -70.76 -48.58 53.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.83 133.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.956 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -121.78 106.86 11.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.98 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.682 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.0 p -83.63 144.54 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' CB ' HD21 ' A' ' 115' ' ' LEU . 6.1 m-20 -78.92 130.3 35.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.86 134.37 54.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.63 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.12 22.0 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -115.67 -21.91 9.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 21.14 6.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -139.07 152.25 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 119.02 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.99 -26.16 59.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.8 29.49 1.04 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.45 146.1 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.71 157.65 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -128.98 131.6 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.58 140.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.8 m-70 -111.26 140.71 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.5 m-85 -116.79 147.3 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -83.19 -15.15 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 170.5 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.808 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -90.47 -36.2 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.07 -49.11 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -64.02 -42.01 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -57.47 -60.92 2.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.3 -33.32 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.768 ' HD3' HG12 ' B' ' 104' ' ' VAL . 1.6 mmpt? -60.9 -74.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.611 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.8 -23.54 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.574 ' CE ' HD13 ' A' ' 149' ' ' LEU . 11.2 ttp -63.89 -56.02 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -75.95 -15.77 60.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.74 ' CD ' HG21 ' B' ' 104' ' ' VAL . 24.2 mm100 -88.5 -20.93 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.531 ' CB ' HD13 ' A' ' 147' ' ' ILE . 20.3 m-30 -112.29 -17.79 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -53.02 110.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.92 15.24 55.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.482 HG22 ' H ' ' B' ' 112' ' ' ARG . 1.0 OUTLIER -99.37 141.65 23.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.62 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.8 Cg_endo -69.79 159.65 52.62 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.215 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.876 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -131.41 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 0.9 OUTLIER 69.53 13.87 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.6 36.67 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.65 110.64 0.6 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.68 31.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.635 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.29 158.48 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.531 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.18 138.71 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -123.11 137.29 54.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.004 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.2 tp -81.89 125.65 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.17 135.0 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' A' ' 155' ' ' ASP . . . -68.29 106.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -176.36 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.04 -12.15 59.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.4 pp -113.69 22.43 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.521 ' CB ' ' HB1' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -102.19 31.91 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.89 -179.04 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.795 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 58.79 45.4 15.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -50.68 117.07 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -166.28 170.45 13.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -118.04 83.89 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -116.06 33.45 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.79 170.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 CA-C-O 121.481 0.489 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 128.06 15.43 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -108.78 150.58 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.33 88.37 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.395 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 2.6 m -151.52 149.04 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.87 0.367 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.768 HG12 ' HD3' ' A' ' 130' ' ' LYS . 24.0 m -70.16 164.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.58 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -81.39 -19.39 42.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.58 ' C ' ' O ' ' B' ' 105' ' ' TRP . 96.2 p -22.71 107.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -126.92 48.13 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.61 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -115.72 148.77 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.478 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -46.41 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.62 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -62.59 116.42 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -174.33 110.58 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.482 ' H ' HG22 ' A' ' 138' ' ' VAL . 0.6 OUTLIER -160.28 69.6 2.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 113' ' ' PRO . . . . . 0.461 ' HD3' HG21 ' A' ' 138' ' ' VAL . 53.9 Cg_endo -69.73 172.05 13.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 62.8 m -89.63 -73.34 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 15.2 p -163.17 -175.41 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.72 160.64 25.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.62 2.214 . . . . 0.0 112.295 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -119.14 145.67 45.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -172.16 129.79 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -163.9 107.13 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.62 139.69 8.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 155.99 173.12 24.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -174.97 139.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -146.45 147.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.95 155.22 1.98 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.431 ' C ' HD23 ' B' ' 127' ' ' LEU . 1.6 tmm_? -160.79 108.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.431 HD23 ' C ' ' B' ' 126' ' ' ARG . 0.9 OUTLIER -175.36 169.05 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.47 160.5 34.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 167.77 23.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.75 23.62 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.752 2.302 . . . . 0.0 112.4 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 157.33 60.72 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.27 162.51 30.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -133.99 157.97 44.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -111.24 24.47 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 64.51 153.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 162.89 40.36 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.634 2.222 . . . . 0.0 112.419 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.2 139.95 32.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.735 0.303 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.34 150.65 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.063 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 t -115.25 91.49 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mmt -98.7 114.39 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -159.23 134.63 8.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.82 142.15 3.36 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.53 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.57 105.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -142.53 135.05 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -148.18 140.91 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.9 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.08 92.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -106.98 140.23 40.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.12 160.49 60.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.66 -31.63 20.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.744 2.296 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.06 17.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -89.35 82.35 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -126.79 129.2 47.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -147.69 159.8 43.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -159.61 167.71 27.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -163.97 96.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.85 168.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -125.95 139.07 53.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -174.69 169.2 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -141.04 150.18 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -162.94 23.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 p -154.59 131.63 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.98 164.89 31.51 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.73 155.63 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.79 161.19 18.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.566 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -143.69 179.57 7.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.96 18.41 5.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 124' ' ' ARG . 6.6 p -75.93 134.2 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.54 -79.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.17 -22.43 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.32 -176.9 23.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.28 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -101.26 142.62 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.2 tp -126.4 108.81 11.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.16 109.29 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.801 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -91.81 141.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 171.89 13.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 61.7 37.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.801 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -80.43 179.53 7.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.52 164.13 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.88 2.1 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.91 -36.82 6.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.802 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -70.84 125.96 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 111.133 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.7 p -103.39 154.19 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -56.14 3.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.06 -46.51 61.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.26 -47.92 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.802 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.0 mm -69.58 -39.9 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.702 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 7.2 mt-30 -52.02 -61.61 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.31 -41.74 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.085 HD13 HD21 ' A' ' 140' ' ' LEU . 25.6 mt -64.47 -14.61 57.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.467 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.9 m-85 -125.28 2.33 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.3 -53.26 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 25.8 mm-40 -48.98 -25.92 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.52 -33.0 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.35 -75.51 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 122.67 31.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.705 HD11 HG23 ' A' ' 120' ' ' VAL . 37.3 tp -133.7 118.82 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.5 -46.59 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.588 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 1.4 tmtt? -172.26 153.27 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -147.49 108.41 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.588 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -141.17 127.71 20.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 41.7 t -76.24 144.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.32 98.51 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.75 141.82 28.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -66.63 -167.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -90.23 18.16 6.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -116.42 -42.69 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.98 36.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -154.77 136.36 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.4 t -51.49 110.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -20.8 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.22 33.96 0.56 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -160.6 146.59 15.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.53 153.36 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -129.12 124.19 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.15 139.78 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -114.57 144.55 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 77' ' ' LEU . 31.1 m-85 -116.01 150.25 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.04 -18.68 49.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.532 ' HB2' HG23 ' A' ' 71' ' ' VAL . 5.8 ptm180 -138.22 173.74 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -91.72 -35.71 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.2 -50.14 50.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.52 -43.48 80.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.472 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.59 -58.26 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.06 -33.78 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.794 ' HD3' HG12 ' B' ' 104' ' ' VAL . 1.3 mtmt -58.1 -73.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.651 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.01 -25.16 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.66 ' HE3' HD12 ' A' ' 149' ' ' LEU . 1.8 ttp -59.96 -63.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.78 -19.13 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.689 ' CD ' HG21 ' B' ' 104' ' ' VAL . 58.4 mm-40 -81.88 -21.92 37.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.572 ' HE1' HD23 ' B' ' 108' ' ' LEU . 19.8 m-85 -117.43 3.0 12.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 108.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.12 16.22 47.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -94.85 148.74 35.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 111.163 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.2 Cg_endo -69.76 158.71 56.01 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -138.71 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.17 6.51 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.02 33.83 0.77 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.462 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.39 118.46 1.13 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.73 139.18 39.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.618 2.212 . . . . 0.0 112.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.84 154.65 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.44 116.02 22.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.668 HG13 HG22 ' A' ' 79' ' ' VAL . 2.4 mp -93.94 125.11 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -116.0 139.01 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.66 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.9 tt -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.478 ' N ' HD23 ' A' ' 149' ' ' LEU . 68.7 t -128.05 135.86 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 155' ' ' ASP . . . -77.94 124.59 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.62 -168.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.8 -8.57 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -118.61 23.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.082 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.442 ' HB3' ' HB1' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -100.61 36.18 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.659 ' C ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -51.03 169.02 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.761 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.541 ' N ' HD22 ' A' ' 156' ' ' LEU . 30.4 mp0 -121.9 93.17 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.419 ' HB2' HD23 ' A' ' 156' ' ' LEU . 3.0 t-80 -148.56 169.63 19.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -139.38 178.22 7.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -115.92 166.11 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -115.93 -26.77 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -131.48 177.13 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 73.8 t60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 121.457 0.476 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -41.15 4.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.577 2.185 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 49.3 mt -106.96 126.3 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -144.23 134.92 5.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 74.3 m -91.08 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.811 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.794 HG12 ' HD3' ' A' ' 130' ' ' LYS . 12.4 m -64.68 164.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -76.01 -20.82 57.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 105' ' ' TRP . 51.8 p -28.9 112.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -143.21 80.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.658 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.15 149.59 52.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.82 -85.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.534 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -82.29 116.08 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -166.13 107.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.44 68.31 10.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.12 15.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.638 2.225 . . . . 0.0 112.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.5 m -128.08 108.11 10.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.27 151.92 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.96 160.15 30.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.659 0.743 . . . . 0.0 110.893 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.83 177.0 6.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.218 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -175.37 123.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -150.41 179.45 8.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -150.71 164.2 36.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.74 157.77 30.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.545 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 164.52 64.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.402 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -73.77 129.37 37.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.2 148.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 54.94 35.49 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -61.11 123.23 17.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.39 161.54 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -83.08 137.37 43.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 167.79 23.34 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.585 2.19 . . . . 0.0 112.374 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.86 167.8 23.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.84 18.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 14.6 t -99.53 154.29 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 123.27 24.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.97 163.9 12.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -54.99 160.29 3.14 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.94 52.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -119.72 146.29 45.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.6 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.6 149.4 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -156.5 118.1 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.83 161.49 31.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -111.08 -65.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.73 161.64 37.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.38 152.86 7.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -149.57 171.81 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -174.35 154.48 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.25 175.94 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.31 127.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.493 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.18 144.51 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.28 153.94 8.96 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.7 0.762 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -11.44 30.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.746 2.298 . . . . 0.0 112.334 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -87.4 53.27 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -67.88 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -136.26 179.62 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.98 151.95 24.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -161.14 162.12 31.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.31 115.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 159.99 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -176.99 -179.81 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 54.7 56.33 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -120.97 153.71 36.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.11 165.77 29.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.6 p -172.92 -177.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.92 175.1 46.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.43 -176.11 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.68 -69.62 1.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.02 166.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.48 -82.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 124' ' ' ARG . 7.4 p -90.13 131.92 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 111.174 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 -79.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.88 -22.38 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.7 -173.62 24.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.55 156.47 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 146.69 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.5 tp -129.21 107.2 9.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 tp -94.83 111.23 23.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.722 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -94.54 137.31 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -130.48 170.34 14.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 60.71 48.23 7.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -87.21 -179.46 6.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.85 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.12 10.93 12.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.69 -39.86 2.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.822 HG21 HD12 ' A' ' 82' ' ' LEU . 1.6 m -64.18 127.4 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 p -106.11 152.2 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.61 -58.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.11 63.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.42 -45.89 69.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.79 HD11 ' HB ' ' A' ' 86' ' ' VAL . 6.7 mm -68.1 -37.86 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -56.73 -51.73 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -68.16 -37.0 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 140' ' ' LEU . 29.3 mt -75.99 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' C ' HD12 ' A' ' 101' ' ' LEU . 7.2 m-85 -123.8 0.96 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -109.25 -47.27 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 27.2 mm-40 -46.97 -28.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.6 m-85 -55.43 -45.99 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.97 -65.19 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 152.58 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.126 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -151.7 111.12 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.89 -50.4 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -169.09 117.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -114.8 102.79 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HB3' ' HE3' ' A' ' 103' ' ' LYS . . . -131.98 122.9 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.81 144.61 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 115' ' ' LEU . 28.9 m-20 -76.98 129.11 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.46 129.16 52.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -94.78 26.64 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.25 -27.66 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.84 19.58 3.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -143.69 161.81 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.29 112.26 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -52.03 -23.92 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.639 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 122.89 36.41 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -161.8 147.22 13.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.99 149.38 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -128.32 121.28 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.444 HG23 HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -140.52 143.98 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.3 139.82 52.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 17.6 m-85 -110.72 154.0 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -84.83 -10.66 56.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 71' ' ' VAL . 10.4 ptp180 -143.7 174.57 10.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.29 -37.46 12.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.31 -51.25 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.95 -44.87 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.88 -59.35 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -53.89 -35.48 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.728 ' CD ' HG12 ' B' ' 104' ' ' VAL . 19.1 mmtt -61.17 -76.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -55.53 -24.42 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.705 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.8 ttp -62.59 -63.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.43 ' HE3' HD12 ' A' ' 129' ' ' LEU . 12.4 ptpt -71.04 -13.53 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' B' ' 104' ' ' VAL . 25.6 mm100 -89.49 -20.86 23.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.543 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.8 m-30 -112.64 -13.98 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -52.57 110.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.89 18.33 56.77 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.66 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -103.24 148.03 35.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.3 Cg_endo -69.93 158.67 55.96 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 94' ' ' LEU . 1.4 tm? -135.94 80.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.6 t0 74.39 6.34 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 127.12 33.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -164.31 116.7 0.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.963 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.77 139.4 40.08 Favored 'Trans proline' 0 C--N 1.34 0.098 0 C-N-CA 122.685 2.257 . . . . 0.0 112.201 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.543 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.81 162.42 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.16 124.53 32.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -98.36 133.86 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -123.65 136.97 54.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.705 HD13 ' CE ' ' A' ' 132' ' ' MET . 12.4 tp -78.89 126.82 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.03 136.02 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.99 127.85 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.38 -169.05 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.784 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -76.71 -4.9 45.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.5 pp -116.61 21.38 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.05 23.45 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 157' ' ' GLU . 0.5 OUTLIER -130.88 165.22 23.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.464 ' N ' HD12 ' A' ' 156' ' ' LEU . 62.7 mt-10 -79.68 68.78 5.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -90.77 175.79 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -112.22 168.44 9.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.42 172.73 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -116.07 26.34 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 57.65 52.23 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.6 p80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.213 0 CA-C-O 121.36 0.422 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -38.47 7.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' B' ' 119' ' ' ARG . 16.0 tp -76.24 152.32 36.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.46 88.15 0.62 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -154.75 154.78 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.801 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.728 HG12 ' CD ' ' A' ' 130' ' ' LYS . 5.5 m -57.13 -178.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -91.77 -18.2 24.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.485 ' C ' ' O ' ' B' ' 105' ' ' TRP . 78.0 p -30.78 110.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -130.19 31.88 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.68 150.93 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -32.62 -83.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.443 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.53 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -96.65 122.25 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.431 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -162.47 171.25 17.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.521 ' H ' HG21 ' A' ' 138' ' ' VAL . 49.7 ttm-85 -174.66 137.51 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 172.03 13.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.432 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.14 17.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 p -150.66 -175.94 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 52.2 m -147.28 73.89 11.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.701 0.762 . . . . 0.0 110.937 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -172.25 0.56 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.611 2.207 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -106.42 -176.19 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.687 ' HD2' HD12 ' B' ' 101' ' ' LEU . 48.3 ttp180 -140.8 150.44 43.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -125.62 165.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.84 158.76 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -102.09 -150.24 22.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -168.31 140.76 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.41 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 66.2 t -127.74 126.75 67.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.7 177.72 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -142.68 153.21 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 pp -124.59 168.21 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -162.33 157.5 19.46 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.498 0.666 . . . . 0.0 111.029 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 167.78 23.61 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 167.7 23.58 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.78 2.32 . . . . 0.0 112.406 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 129.72 17.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 13.1 m -119.07 134.7 55.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -107.03 106.04 16.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.45 101.99 13.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -60.74 136.32 92.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.687 0.756 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 168.74 20.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.619 2.213 . . . . 0.0 112.393 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -107.73 128.98 55.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.68 170.38 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t -166.8 143.25 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.67 143.53 24.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 t -146.75 165.58 29.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.65 -168.47 18.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.49 -117.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.388 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 56.69 53.02 8.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.23 124.79 24.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.5 mtt -157.99 179.53 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.76 -102.73 0.16 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -127.58 147.69 50.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.95 160.56 5.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -85.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.775 2.317 . . . . 0.0 112.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.95 112.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 164.5 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -64.82 164.15 12.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -159.99 161.93 34.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -151.39 142.26 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -164.19 116.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 170.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -108.37 144.31 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -154.24 171.79 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -162.58 175.8 11.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.08 109.08 2.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.2 m -146.64 172.48 13.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.03 170.87 43.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.99 -162.76 11.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.0 138.31 9.05 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.546 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -174.38 178.34 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.61 51.78 0.46 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.398 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.1 p -66.2 136.32 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.04 -79.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.46 -18.35 7.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.52 -179.36 18.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.44 159.9 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 4.2 mtmt -100.77 148.27 25.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.5 tp -131.96 107.09 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.47 110.39 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 3.2 t -92.6 142.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.201 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.7 m -135.85 171.55 14.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 60.66 43.43 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.696 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -83.23 179.38 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.78 174.39 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.27 11.39 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.98 -10.27 26.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.06 124.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 p -106.38 156.14 18.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -42.28 -46.04 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.37 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.11 -43.96 67.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.3 mm -70.12 -41.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.69 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.4 mt-30 -52.24 -57.76 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.71 -40.21 91.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.095 HD13 HD21 ' A' ' 140' ' ' LEU . 28.2 mt -69.43 -11.37 60.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.672 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -123.25 -1.05 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -107.47 -50.56 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 40.8 mm-40 -48.43 -26.55 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -48.03 66.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.88 -75.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.84 119.63 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 120' ' ' VAL . 44.7 tp -129.54 129.67 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -48.01 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 134.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.0 106.77 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.25 120.13 26.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -81.55 144.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.3 t0 -79.29 129.27 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -120.15 135.62 54.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -58.22 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -92.21 38.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -136.03 -38.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.96 28.87 0.64 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -144.47 153.2 41.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.0 107.13 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.26 -25.42 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.69 35.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.06 147.18 12.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.86 152.06 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -129.66 122.23 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.82 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.2 p -142.77 143.0 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.447 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.0 m-70 -119.77 140.79 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CE1' HD22 ' A' ' 77' ' ' LEU . 38.8 m-85 -110.41 151.79 27.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -78.89 -16.16 57.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.533 ' HB2' HG23 ' A' ' 71' ' ' VAL . 1.1 ptm180 -139.53 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -93.21 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.795 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.05 -51.83 49.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.82 -52.98 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.604 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.1 -50.71 63.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -56.62 -37.07 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.5 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -62.66 -74.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.78 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.54 -25.63 27.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.493 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.1 ttp -63.45 -62.38 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -70.61 -13.38 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.664 ' CD ' HG21 ' B' ' 104' ' ' VAL . 24.7 mm100 -90.78 -20.71 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.533 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 17.9 m-85 -112.44 -15.23 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.09 19.17 56.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.633 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -104.23 147.75 34.84 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.68 0.752 . . . . 0.0 111.037 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.5 Cg_endo -69.82 158.51 56.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.095 HD21 HD13 ' A' ' 94' ' ' LEU . 1.7 tm? -137.13 81.99 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 t0 74.65 6.16 4.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.09 33.7 0.67 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.87 117.27 1.04 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 110.928 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.83 38.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.249 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.533 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -138.23 159.43 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.88 121.67 30.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 77' ' ' LEU . 1.8 mp -96.02 133.63 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -122.4 137.33 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.493 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.8 tp -81.91 128.83 34.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.9 t -127.01 135.89 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.654 ' HB1' ' CG ' ' A' ' 155' ' ' ASP . . . -75.7 115.98 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -168.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.813 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -80.14 -1.73 41.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.72 21.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.654 ' CG ' ' HB1' ' A' ' 151' ' ' ALA . 1.4 p-10 -93.57 25.34 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.44 165.49 1.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -120.54 86.43 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -148.91 108.02 3.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.764 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -66.09 128.19 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -72.92 164.36 26.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -115.23 -25.99 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -52.39 152.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 121.319 0.399 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -44.11 2.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.197 . . . . 0.0 112.346 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.37 126.86 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.07 106.53 2.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.1 t -151.59 131.79 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.664 HG21 ' CD ' ' A' ' 134' ' ' GLN . 3.9 m -55.11 177.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.577 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -84.47 -19.45 33.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.577 ' C ' ' O ' ' B' ' 105' ' ' TRP . 61.2 m -22.35 112.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -134.06 66.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.41 151.33 51.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.41 -83.68 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.475 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.532 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -103.14 125.52 49.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.41 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -167.38 167.24 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.411 ' H ' HG21 ' A' ' 138' ' ' VAL . 14.2 ptt180 179.32 157.86 0.7 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.531 0.682 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 171.48 14.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.61 2.207 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -131.41 -74.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 1.8 m -121.53 137.53 54.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 34.6 p -119.2 73.11 13.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.688 0.756 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -175.56 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -142.63 153.01 43.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.444 ' HE ' ' N ' ' B' ' 120' ' ' HIS . 0.0 OUTLIER -143.55 108.15 4.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.444 ' N ' ' HE ' ' B' ' 119' ' ' ARG . 57.4 t60 -77.48 138.97 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.9 158.58 27.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -156.34 170.67 33.97 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.436 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.87 -173.46 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.009 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 p -172.35 151.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.99 167.77 24.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -145.08 157.67 44.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 20.5 tp -163.62 117.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -175.52 73.61 0.28 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.965 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.81 167.7 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.265 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.64 23.77 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.749 2.299 . . . . 0.0 112.298 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 157.56 60.08 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.687 2.258 . . . . 0.0 112.422 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 8.5 t -113.25 149.04 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -136.29 157.86 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.69 -174.24 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -124.99 71.86 62.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 131.96 22.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.644 2.229 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.84 114.48 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.71 0.29 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.92 51.44 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 p -119.49 121.56 39.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -117.27 170.27 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -68.71 160.49 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.16 -93.86 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.37 -28.58 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -132.77 112.38 11.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -56.05 171.15 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.8 mtt -142.9 178.96 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.77 72.98 0.18 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -110.84 145.75 37.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -109.0 160.61 26.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.634 0.73 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -26.8 27.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.23 58.33 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -130.62 -40.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 m0 -91.51 -180.0 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -143.12 -177.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.64 -176.38 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -144.49 111.69 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.41 146.2 20.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -179.51 165.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -151.42 -175.1 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 m -154.71 -177.33 6.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.41 -156.48 21.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 t -132.97 162.28 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.02 -145.36 9.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.05 -132.59 7.19 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.438 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.55 -125.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -57.26 176.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.35 -30.97 3.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.48 142.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -77.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.34 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.53 -179.9 31.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.96 41.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.966 0.412 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -100.99 152.21 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.6 tp -134.9 107.79 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.43 114.07 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.764 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -97.98 125.43 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.407 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.01 168.77 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.56 56.19 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.764 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -94.67 -178.85 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.24 164.86 13.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -86.01 8.78 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.95 -36.32 2.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.804 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.8 m -62.93 126.64 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -104.12 152.07 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -53.3 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.77 55.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.804 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.3 mm -68.27 -36.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -59.62 -49.76 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.0 -35.36 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.907 HD13 HD21 ' A' ' 140' ' ' LEU . 22.3 mt -78.15 -12.68 60.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.3 m-85 -119.74 1.3 11.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -111.56 -47.28 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.446 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 5.8 mm-40 -46.7 -28.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 4.4 m-85 -57.01 -44.4 82.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.6 -71.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.84 147.34 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.152 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -142.98 111.46 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -64.86 -50.25 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.81 119.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -115.53 113.0 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.037 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.22 127.29 14.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.0 p -88.3 144.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.485 ' CB ' HD21 ' A' ' 115' ' ' LEU . 4.1 m-20 -76.07 128.43 34.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.97 135.78 55.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -94.59 20.12 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t -118.14 -27.56 6.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.96 25.54 2.51 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -142.11 137.11 30.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -54.73 118.3 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -55.63 -25.31 38.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.97 28.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.52 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.407 HG23 ' HA ' ' A' ' 80' ' ' SER . 8.8 m -158.03 146.09 18.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -133.65 152.43 51.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.13 132.81 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.4 143.11 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -121.34 135.21 55.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.553 ' CE1' HD22 ' A' ' 77' ' ' LEU . 16.7 m-85 -111.92 156.18 22.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.61 -13.98 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.0 ptp180 -144.96 135.81 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -17.22 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.653 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -62.69 -53.22 57.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.6 -46.73 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.94 -49.59 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -59.74 -37.69 79.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.514 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 29.2 mmtm -62.47 -72.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.59 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.51 -25.91 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.0 ttp -64.94 -54.9 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -75.21 -15.41 60.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.698 ' CD ' HG21 ' B' ' 104' ' ' VAL . 28.0 mm100 -90.14 -23.32 21.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.546 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.7 m-85 -108.74 -12.45 14.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 108.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.44 16.84 45.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.562 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.9 OUTLIER -95.85 144.66 28.21 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.684 0.755 . . . . 0.0 111.079 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.8 Cg_endo -69.79 159.54 53.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.246 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.907 HD21 HD13 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -132.75 75.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.4 t70 69.99 14.93 7.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.3 37.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.64 111.89 0.48 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.6 139.31 40.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.78 158.64 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.47 121.04 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.546 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.41 138.97 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -131.4 118.89 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 77' ' ' LEU . 13.1 tp -66.86 132.22 47.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.8 t -126.87 135.12 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.35 8.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.0 p -75.74 -176.07 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.13 -8.73 57.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 154' ' ' ILE . 2.4 pp -123.79 25.53 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.53 35.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.24 163.52 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -145.94 136.34 23.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.794 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -159.73 179.72 8.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -85.28 151.88 23.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -130.39 141.98 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -115.38 37.78 3.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -52.03 114.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 CA-C-O 121.4 0.445 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 126.83 13.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.2 tt -125.1 105.22 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.43 139.1 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.416 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.89 158.51 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.823 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.698 HG21 ' CD ' ' A' ' 134' ' ' GLN . 6.2 m -57.79 -177.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.569 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -92.7 -20.21 21.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.569 ' C ' ' O ' ' B' ' 105' ' ' TRP . 95.9 p -23.12 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -137.38 76.55 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.527 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.3 OUTLIER -133.63 149.49 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -29.41 -85.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.451 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -90.13 119.95 30.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -166.23 113.64 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.501 ' N ' ' HD2' ' B' ' 113' ' ' PRO . 20.0 ttt180 177.27 -59.27 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.707 0.765 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 113' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 112' ' ' ARG . 54.5 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.6 2.2 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.22 169.56 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 p -160.9 110.01 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.59 74.63 0.25 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -172.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.83 162.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -170.31 118.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -52.74 150.06 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.82 158.7 27.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -139.81 -178.52 16.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.471 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 157.27 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 13.0 p -156.57 150.23 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -104.96 -174.73 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -155.77 138.94 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.973 0.416 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.86 -176.05 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -127.24 160.26 60.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.69 23.67 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.82 23.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.311 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 139.28 40.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.753 2.302 . . . . 0.0 112.361 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -130.57 154.58 47.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -111.45 156.03 22.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.923 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -126.47 164.59 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -127.63 138.59 33.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.87 17.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -124.79 136.12 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.32 133.36 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -123.12 152.88 40.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mmt -130.72 160.91 32.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.7 t -169.97 161.07 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -163.26 162.65 34.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.65 166.79 39.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -173.4 154.66 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.82 161.91 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 64.6 mtm -139.33 176.24 8.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.52 44.56 0.26 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -112.35 140.3 47.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.17 160.18 31.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.661 0.743 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 -33.81 15.18 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.602 2.201 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -163.15 105.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -60.59 167.03 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -61.83 -175.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -139.95 -176.02 4.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -159.25 174.14 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -161.82 107.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.08 170.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -132.72 151.24 52.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.08 151.41 30.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -174.54 156.8 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.3 175.89 43.48 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 83.6 m -143.56 -174.28 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.45 -176.9 30.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.07 -149.15 6.34 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.387 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.439 ' HA3' HD21 ' A' ' 129' ' ' LEU . . . 144.58 121.49 1.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -166.08 164.46 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.08 30.3 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.9 p -79.85 135.43 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.65 -79.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.96 -21.99 6.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 -174.05 24.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.78 155.88 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 2.3 mtmt -95.34 147.08 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.7 tp -131.89 109.71 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.2 tp -97.62 117.07 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.775 HG12 HD21 ' A' ' 82' ' ' LEU . 3.1 t -97.18 130.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.0 OUTLIER -122.49 168.27 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 61.5 50.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.775 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -90.56 178.81 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.74 171.27 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 10.72 11.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.24 -41.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 HD12 ' A' ' 82' ' ' LEU . 1.4 m -63.06 127.88 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -109.46 156.57 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.39 -55.24 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.56 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -52.84 -45.69 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -71.12 -38.45 71.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.586 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -53.8 -56.83 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.69 -40.16 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.116 HD13 HD21 ' A' ' 140' ' ' LEU . 24.0 mt -67.81 -11.97 59.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.693 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.7 m-85 -125.53 0.6 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.12 -51.51 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 12.2 mm-40 -49.06 -25.39 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.93 -33.0 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.83 -78.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.15 121.13 28.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' A' ' 120' ' ' VAL . 41.8 tp -131.84 115.52 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -61.3 -46.72 89.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 153.61 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -144.28 110.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.07 120.83 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.8 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.65 129.06 34.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -122.96 134.61 54.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -59.6 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -96.19 27.6 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.87 -31.56 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.73 27.83 1.52 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -148.0 139.52 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.16 116.39 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -29.78 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.06 32.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 80' ' ' SER . 5.2 m -161.52 146.43 13.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.636 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.25 158.39 43.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -130.98 126.83 37.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.21 141.58 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.438 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.1 m-70 -117.45 139.08 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 77' ' ' LEU . 41.6 m-85 -109.45 152.8 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -80.73 -15.8 55.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.559 ' HB2' HG23 ' A' ' 71' ' ' VAL . 8.4 ptm180 -140.64 175.84 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -91.78 -36.73 13.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -49.88 56.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.8 -40.89 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.02 -63.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -53.67 -33.25 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.785 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.0 OUTLIER -60.26 -76.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.48 -21.85 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.601 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.0 ttp -64.14 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.1 -15.95 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.767 ' CD ' HG21 ' B' ' 104' ' ' VAL . 22.9 mm100 -85.95 -25.06 26.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.548 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.4 m-85 -108.85 -11.95 14.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.83 110.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.27 15.67 51.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.465 HG21 ' H ' ' B' ' 112' ' ' ARG . 1.2 t -98.63 145.96 30.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.535 0.684 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.456 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.91 158.94 55.09 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.116 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -136.71 83.55 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . 0.448 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.7 m-20 69.95 10.42 7.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.8 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.26 39.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.64 115.53 0.46 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.956 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.62 38.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.532 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.53 160.42 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 122.31 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.548 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.67 138.58 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -128.05 138.57 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.601 HD13 ' CE ' ' A' ' 132' ' ' MET . 11.9 tp -81.08 128.34 33.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.5 t -126.93 136.01 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.93 120.83 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.3 p -86.51 -175.05 5.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.0 -9.51 58.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 154' ' ' ILE . 2.3 pp -119.65 25.01 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.06 36.17 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.653 ' C ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -51.26 169.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.538 ' N ' HD22 ' A' ' 156' ' ' LEU . 19.8 mt-10 -114.06 119.96 38.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -60.84 130.21 45.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -104.35 -36.09 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -151.44 139.89 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -113.0 30.52 7.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -106.07 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.755 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.37 0.428 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -46.76 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.602 2.201 . . . . 0.0 112.408 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.24 143.77 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.8 108.4 3.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 25.1 p -148.22 121.66 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.785 HG12 ' HD3' ' A' ' 130' ' ' LYS . 23.6 m -65.39 157.6 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.578 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -74.39 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.578 ' C ' ' O ' ' B' ' 105' ' ' TRP . 74.6 m -21.83 113.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -139.48 71.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.53 151.24 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -30.39 -85.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.572 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -99.37 128.92 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -169.7 179.33 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.465 ' H ' HG21 ' A' ' 138' ' ' VAL . 45.2 ttm-85 -177.85 137.58 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.61 172.18 12.96 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.9 t -122.45 -170.6 2.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.52 -60.42 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.07 160.47 0.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.697 0.761 . . . . 0.0 110.864 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.91 -171.71 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.265 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.7 176.7 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -168.55 170.07 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -164.23 161.56 22.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.73 158.67 27.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.93 158.01 21.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.582 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.98 150.02 12.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 46.6 t -146.69 141.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.1 171.89 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -157.61 -174.78 5.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.401 ' C ' HD12 ' B' ' 127' ' ' LEU . 4.5 pp -144.62 174.41 10.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.3 137.96 29.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.8 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.95 22.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 156.67 62.52 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 24.8 p -133.83 131.81 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 157.91 44.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -121.43 169.6 10.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -135.42 70.85 67.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.6 23.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -122.0 147.62 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.55 52.47 6.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.018 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -123.57 117.87 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.8 mtt -111.0 160.32 16.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -141.65 154.83 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.95 -157.84 17.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.438 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.93 -152.85 6.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -142.74 175.88 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -173.2 172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.6 97.11 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.5 64.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -106.1 137.24 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.52 160.1 62.28 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 -25.36 28.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.246 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 t70 53.5 51.82 14.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -79.11 123.17 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 173.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -150.61 137.8 19.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.27 164.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -167.7 111.62 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 142.62 14.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -170.9 165.14 7.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -170.97 108.84 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -174.6 115.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.777 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.46 171.98 39.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 83.5 m -144.9 -177.37 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.83 -175.73 14.15 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.4 -174.12 25.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.15 -172.18 32.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.9 24.68 12.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -112.98 22.32 16.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 124' ' ' ARG . 6.2 p -67.41 142.38 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.71 -79.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 -20.9 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.64 179.67 18.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.42 159.39 37.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.6 OUTLIER -100.72 150.25 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.603 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.3 tp -136.38 110.18 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.2 tp -95.08 115.91 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 82' ' ' LEU . 1.6 t -93.72 132.45 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 12.9 m -126.61 169.44 13.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 60.82 42.68 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 86' ' ' VAL . 3.9 mm? -82.56 -179.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.87 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.68 10.32 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.02 -38.7 2.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.9 m -63.79 128.93 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 p -106.67 151.78 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.93 -40.51 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.45 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.19 -44.74 68.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -69.93 -37.33 72.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -55.7 -52.92 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.902 HD13 HD21 ' A' ' 140' ' ' LEU . 13.9 mt -72.75 -13.31 61.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.553 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.9 m-85 -120.2 -7.02 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.3 -51.08 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 13.2 mm-40 -47.83 -27.6 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.1 -47.33 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.49 -73.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.548 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -134.79 118.89 17.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 62.8 tp -130.68 121.72 26.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -68.94 -42.72 76.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 155.04 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.61 105.49 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.52 124.1 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.564 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.7 p -82.48 144.81 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 115' ' ' LEU . 16.5 t0 -83.47 130.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.96 138.8 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -59.13 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.98 25.38 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -120.47 -29.09 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.778 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.91 17.66 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.29 151.1 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -60.44 109.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -50.75 -25.43 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.37 30.68 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.51 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.9 m -162.04 146.25 12.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.564 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 156.37 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -120.69 136.4 54.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.595 ' CG1' HD11 ' A' ' 101' ' ' LEU . 18.4 t -143.39 140.5 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.3 m-70 -124.25 125.74 44.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 77' ' ' LEU . 64.4 m-85 -102.96 147.67 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 100' ' ' THR . 3.3 mt-10 -78.18 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -140.59 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -93.52 -40.99 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.74 -53.37 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.401 ' H ' ' CG ' ' A' ' 124' ' ' ARG . 64.8 t0 -56.78 -49.77 74.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.603 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.55 -52.88 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -56.24 -35.49 67.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.58 -75.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.32 -24.14 27.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.684 ' HE3' HD12 ' A' ' 149' ' ' LEU . 2.5 ttp -64.46 -61.65 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -72.81 -12.21 60.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.707 ' CD ' HG21 ' B' ' 104' ' ' VAL . 79.1 mm-40 -90.33 -24.49 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.56 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.0 m-30 -108.83 -15.96 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.77 109.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.17 18.08 59.97 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.64 20.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.995 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.93 157.35 60.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -127.87 73.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t0 68.2 17.53 9.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.0 38.04 0.58 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.589 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.28 107.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.5 Cg_endo -69.72 135.32 30.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.6 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -133.57 155.57 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 117.71 22.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.45 137.59 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -126.64 139.63 53.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.684 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.0 tt -78.88 129.33 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 149' ' ' LEU . 70.0 t -128.67 135.69 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.5 126.53 29.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t -88.36 -169.6 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.747 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -77.23 -8.47 57.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -119.31 24.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.51 35.25 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.76 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.6 -78.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -103.97 -172.19 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -136.48 160.66 38.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -131.39 126.85 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -130.21 69.17 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -115.56 38.15 3.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -91.41 127.12 36.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 19.4 p80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.881 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 CA-C-O 121.47 0.483 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.49 119.07 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -144.69 138.07 7.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 75.9 p -152.05 136.02 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.707 HG21 ' CD ' ' A' ' 134' ' ' GLN . 5.0 m -55.13 174.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.3 OUTLIER -80.51 -21.09 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.54 ' C ' ' O ' ' B' ' 105' ' ' TRP . 87.8 p -25.59 111.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -136.7 73.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.6 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.49 149.2 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -24.2 -86.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -98.56 116.38 30.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -152.1 142.02 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -145.98 157.43 50.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.548 0.69 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 169.51 18.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -97.61 -5.38 35.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 16.7 m 58.66 51.95 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -136.64 70.13 59.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.689 0.757 . . . . 0.0 110.778 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.71 125.61 12.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.825 2.35 . . . . 0.0 112.358 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -135.15 91.98 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.95 145.75 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -73.48 118.79 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.48 158.52 24.99 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -52.79 -31.02 37.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.59 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.57 175.77 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.941 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -110.67 85.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.94 109.91 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.11 172.91 10.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 mt -113.07 108.93 18.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.87 69.08 1.01 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.409 ' HA ' ' HD2' ' B' ' 130' ' ' PRO . 53.0 Cg_endo -69.84 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 129' ' ' PRO . 52.8 Cg_endo -69.96 167.83 23.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.598 2.199 . . . . 0.0 112.324 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.77 31.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 70.0 p -81.36 98.99 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -110.85 150.19 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.43 110.04 10.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -116.58 70.74 4.73 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.605 0.716 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 163.95 36.43 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -117.94 130.37 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.824 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.44 148.43 6.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 p -153.5 139.46 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.28 178.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 m -131.17 -65.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.54 175.33 40.17 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.37 132.82 2.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -147.2 159.11 44.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -174.66 133.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.8 mtp -145.26 158.85 43.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.49 86.38 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.576 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -102.72 136.04 43.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.98 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -51.62 158.56 1.5 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.635 0.731 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.14 28.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 55.56 40.21 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -90.94 -25.99 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -52.22 111.18 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -144.97 167.87 21.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -148.27 145.04 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -162.31 123.11 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 176.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -151.3 137.09 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.05 120.09 1.34 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 t -169.25 165.5 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.7 72.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.558 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 p -176.69 169.25 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.989 0.423 . . . . 0.0 110.781 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.45 161.66 9.73 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.03 177.71 36.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.437 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.47 149.52 14.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.492 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -174.23 147.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.99 82.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.31 139.76 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.316 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.01 -79.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.14 -25.08 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.238 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.43 -178.02 26.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.64 159.03 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.412 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -98.21 147.28 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 147' ' ' ILE . 2.7 tp -130.83 106.37 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -94.7 111.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.748 HG12 HD21 ' A' ' 82' ' ' LEU . 6.1 t -92.6 140.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 m -133.04 171.91 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 60.41 45.34 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.748 HD21 HG12 ' A' ' 79' ' ' VAL . 4.2 mm? -84.26 179.76 7.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.89 174.85 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.44 13.82 12.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -110.45 -10.28 22.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.811 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -101.07 120.41 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -101.54 153.88 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.64 -40.13 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.73 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.22 -42.5 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.811 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.5 mm -71.21 -36.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.612 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.1 tp60 -58.53 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.55 -33.02 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.992 HD13 HD21 ' A' ' 140' ' ' LEU . 16.0 mt -76.96 -12.14 59.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.7 m-85 -119.93 -8.59 9.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.556 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -101.84 -49.4 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 15.4 mm-40 -47.28 -28.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -53.37 -40.79 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.84 -75.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.49 121.88 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.191 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 104' ' ' ALA . 58.7 tp -132.64 118.95 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.1 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.22 142.4 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -134.3 102.93 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 121.48 23.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.5 p -81.87 143.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.6 t0 -79.31 129.56 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.75 133.46 55.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -175.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -93.22 34.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -128.36 -36.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.24 31.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -152.34 156.93 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 110.13 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.89 -25.28 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.969 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.672 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 125.56 32.19 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -161.99 146.96 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 82' ' ' LEU . . . -135.29 152.01 51.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -119.59 133.47 55.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 101' ' ' LEU . 11.7 t -143.46 143.77 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.684 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.7 m-70 -126.64 133.76 50.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 77' ' ' LEU . 56.5 m-85 -113.72 153.54 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -88.7 -14.1 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 156.94 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.856 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -78.61 -36.8 43.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.03 62.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -66.31 -44.4 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.94 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.44 -34.05 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.843 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.3 OUTLIER -58.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.613 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.78 -23.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.513 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.0 ttp -62.02 -60.71 3.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -72.98 -17.66 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.725 ' CD ' HG21 ' B' ' 104' ' ' VAL . 27.3 mm100 -85.35 -20.51 29.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.512 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.2 m-30 -113.08 -14.35 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 111.006 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.82 110.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.8 16.64 52.32 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.622 HG22 ' H ' ' B' ' 112' ' ' ARG . 1.0 OUTLIER -99.54 143.6 26.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.16 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.3 Cg_endo -69.86 157.13 61.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.55 81.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.5 t70 73.91 6.58 4.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.55 33.37 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.418 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -162.86 115.11 1.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.77 137.88 36.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.648 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.55 155.2 50.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.32 121.62 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.599 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -94.25 136.17 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -123.8 137.99 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.513 HD13 ' CE ' ' A' ' 132' ' ' MET . 14.1 tp -81.41 126.35 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.93 135.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.15 127.44 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.26 -168.47 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.784 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -74.43 -6.55 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.4 pp -117.09 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -110.99 40.22 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 156' ' ' LEU . 4.1 mm? -103.17 178.09 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -81.1 58.82 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -97.33 -176.51 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -163.69 166.84 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -169.44 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -115.94 -26.85 7.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 57.41 47.45 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 121.371 0.428 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 21.7 mt -76.54 149.26 36.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.15 98.19 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -152.61 112.39 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.843 HG12 ' HD3' ' A' ' 130' ' ' LYS . 15.2 m -68.13 145.54 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -59.26 -21.1 59.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.509 ' C ' ' O ' ' B' ' 105' ' ' TRP . 4.8 t -28.71 112.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -145.5 77.93 1.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.684 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -131.11 151.98 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.27 -86.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.582 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -106.07 134.68 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.536 ' O ' ' CG ' ' B' ' 111' ' ' ARG . 4.7 ptt85 -169.87 102.83 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.622 ' H ' HG22 ' A' ' 138' ' ' VAL . 7.3 ptm180 37.11 75.38 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.544 0.688 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.6 112.04 2.94 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.0 p -163.31 -175.29 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 7.2 p -147.71 166.31 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.9 160.63 33.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -172.99 0.64 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.657 2.238 . . . . 0.0 112.286 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -132.22 163.09 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -126.28 131.2 51.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -110.75 136.2 50.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -108.16 146.75 16.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.415 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 137.98 173.99 13.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.67 146.07 47.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 61.8 t -119.11 98.41 6.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -94.98 152.46 18.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.69 144.19 31.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 23.4 tp -109.39 -77.14 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 55.45 75.22 0.62 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 167.68 23.83 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.608 2.206 . . . . 0.0 112.244 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' B' ' 131' ' ' PRO . 55.2 Cg_endo -69.59 112.2 2.98 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.769 2.313 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 130' ' ' PRO . 53.6 Cg_endo -69.8 124.92 11.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 34.3 p -81.12 130.31 34.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -125.38 130.53 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.85 88.92 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.69 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 143.45 50.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.612 2.208 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -91.26 124.25 35.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.0 149.1 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 p -174.32 120.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -136.22 128.83 30.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -148.92 148.26 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.84 134.18 2.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.73 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.06 150.85 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -174.42 137.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.2 ptp -142.47 150.07 40.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.31 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -128.62 147.24 50.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.74 158.46 1.6 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.692 0.758 . . . . 0.0 110.818 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.787 2.325 . . . . 0.0 112.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.33 111.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 121.04 44.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -54.44 162.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -162.88 -178.35 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -179.85 156.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -169.44 113.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.2 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -155.15 175.6 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -118.0 -177.08 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -133.35 172.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.02 159.65 32.29 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.98 166.35 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.7 132.99 3.84 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.477 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.55 175.75 34.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.48 -103.47 1.31 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -57.11 175.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.19 -109.65 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.4 p -60.04 136.39 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.294 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.88 -79.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -125.15 -29.69 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.47 174.98 22.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.83 16.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -94.81 152.55 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.8 tp -139.22 108.9 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.749 HD23 ' CG2' ' A' ' 150' ' ' VAL . 0.5 OUTLIER -97.69 134.77 40.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.797 HG12 HD21 ' A' ' 82' ' ' LEU . 3.5 t -108.1 132.79 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.29 166.5 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 60.87 53.34 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -94.97 -178.98 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.82 169.85 17.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.51 0.31 47.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.19 -11.76 77.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.698 HG13 HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -98.39 164.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 111.132 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 m -135.13 147.55 49.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -56.76 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.74 54.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.1 mm -72.17 -36.5 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.645 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -55.7 -52.67 63.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.84 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.0 -35.87 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 140' ' ' LEU . 14.4 mt -71.88 -11.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.6 m-85 -122.53 -5.19 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.92 -51.04 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.479 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 18.5 mm-40 -49.88 -25.12 2.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -56.13 -31.63 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.0 -82.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -127.18 119.01 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 104' ' ' ALA . 63.9 tp -129.03 117.69 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -41.49 87.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.69 153.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -147.29 109.26 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.48 126.63 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.659 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.6 p -86.54 144.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HB3' HD21 ' A' ' 115' ' ' LEU . 2.2 m-20 -77.4 123.75 26.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -112.84 151.01 30.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.79 -178.35 4.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -88.98 49.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -42.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.63 37.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -152.0 140.46 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 t -61.12 115.75 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -53.52 -26.56 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.15 29.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.574 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.43 ' HA ' HD23 ' A' ' 82' ' ' LEU . 4.4 m -161.72 146.96 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 160.82 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -127.72 137.36 52.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 101' ' ' LEU . 6.8 t -143.38 143.8 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.239 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.665 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.9 m170 -125.02 126.77 45.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.54 149.66 26.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.61 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.0 mt-10 -79.12 -16.13 57.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.729 ' HB2' HG23 ' A' ' 71' ' ' VAL . 5.8 ptt180 -143.15 176.77 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -92.51 -30.81 15.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.622 ' HB3' ' HE ' ' A' ' 124' ' ' ARG . . . -51.27 -52.42 45.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 4.3 p30 -67.56 -34.07 76.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.16 -60.17 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.545 HD13 ' C ' ' B' ' 138' ' ' ARG . 0.5 OUTLIER -59.68 -31.85 69.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.732 ' CD ' HG12 ' B' ' 104' ' ' VAL . 20.1 mmtt -59.87 -73.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -60.86 -23.78 65.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.461 ' HA ' HG21 ' A' ' 147' ' ' ILE . 7.8 ttp -63.28 -56.49 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -19.07 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.739 ' CD ' HG21 ' B' ' 104' ' ' VAL . 22.7 mm100 -83.17 -24.57 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.537 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -111.31 -8.59 14.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 108.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.69 15.32 47.19 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.44 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -94.21 146.4 31.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.538 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 54.0 Cg_endo -69.83 158.82 55.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.888 HD22 HD13 ' B' ' 108' ' ' LEU . 1.1 tm? -140.69 86.93 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.1 t0 75.82 5.78 3.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.92 29.58 1.23 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 120.82 1.97 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.79 141.52 45.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.31 155.57 46.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.32 123.53 40.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.61 135.5 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -127.83 134.47 49.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD12 ' A' ' 77' ' ' LEU . 11.1 tp -74.25 132.68 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.749 ' CG2' HD23 ' A' ' 78' ' ' LEU . 45.0 t -127.06 135.77 62.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 155' ' ' ASP . . . -71.32 104.69 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.2 t -66.54 -169.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -73.51 -8.46 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.09 23.87 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.584 ' HB3' ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -101.9 35.78 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 156' ' ' LEU . 4.0 mm? -101.93 177.93 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.84 26.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -104.74 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -111.0 164.77 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -125.37 155.86 39.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -113.16 35.06 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -83.45 156.05 23.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.962 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.45 0.472 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -23.23 31.09 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.601 2.2 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.532 HD23 ' H ' ' B' ' 101' ' ' LEU . 1.0 OUTLIER -101.06 152.79 20.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' B' ' 117' ' ' PRO . . . -112.92 110.15 2.48 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.521 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -153.75 137.87 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.782 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.739 HG21 ' CD ' ' A' ' 134' ' ' GLN . 13.5 m -60.17 -177.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.211 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -97.06 -20.66 17.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -25.91 113.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -143.86 65.5 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.888 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -118.8 149.69 41.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -34.25 -83.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -82.18 116.89 21.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -162.68 150.04 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -98.02 137.52 20.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.47 16.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.387 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.3 t -117.87 -176.62 3.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.39 131.54 38.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 3.5 t -171.04 74.32 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.718 0.77 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.407 ' HA ' ' HA3' ' B' ' 102' ' ' GLY . 52.8 Cg_endo -69.99 -8.21 23.03 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.757 2.305 . . . . 0.0 112.279 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 51.91 56.33 7.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 -60.08 -26.79 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.07 88.12 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -120.03 154.09 16.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 160.84 140.99 3.01 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -68.94 -176.86 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.303 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.21 -74.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -148.73 175.55 11.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.65 174.32 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -120.66 73.44 23.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.7 23.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' B' ' 131' ' ' PRO . 54.3 Cg_endo -69.82 112.31 3.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.75 2.3 . . . . 0.0 112.386 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' B' ' 130' ' ' PRO . 54.1 Cg_endo -69.77 136.14 32.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.677 2.251 . . . . 0.0 112.468 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 3.1 m -82.12 156.48 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -67.46 150.46 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -176.89 -178.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -55.7 136.59 71.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 134.07 26.9 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.591 2.194 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.02 152.93 42.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ARG . . . . . 0.545 ' C ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.13 113.2 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -89.11 167.7 12.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.9 mtm -84.58 178.82 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -161.62 156.56 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.21 -158.47 16.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.23 160.26 28.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -114.82 159.34 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -140.7 150.88 44.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.4 mmt -142.51 165.35 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.06 32.33 1.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -93.44 143.53 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.63 160.51 79.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.75 -21.8 33.05 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.852 2.368 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -173.18 109.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -55.86 160.19 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -55.03 172.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -141.13 161.08 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -126.86 152.82 46.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -168.8 93.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -56.55 174.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -145.29 161.62 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -171.05 176.08 4.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -156.03 169.7 23.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.24 132.48 3.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.8 t -167.39 141.87 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.7 -140.02 4.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.83 -177.93 46.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.48 -177.03 36.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.502 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.37 159.95 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.14 60.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 124' ' ' ARG . 6.1 p -63.57 140.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.46 -79.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -19.73 8.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.99 -178.59 19.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.16 158.94 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -95.08 155.9 16.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 149' ' ' LEU . 2.8 tp -139.43 105.21 5.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.0 tp -93.82 116.5 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -97.67 134.3 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.414 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -127.89 170.76 12.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 61.98 47.79 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.915 HD12 HG21 ' A' ' 86' ' ' VAL . 4.3 mm? -89.78 179.58 5.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -124.59 175.05 7.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.16 11.34 10.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.28 -42.34 2.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.915 HG21 HD12 ' A' ' 82' ' ' LEU . 1.2 m -63.94 128.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 t -109.72 155.6 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -57.27 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.22 62.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.12 -45.95 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.697 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.49 -38.7 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.608 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 13.3 tp60 -53.52 -55.23 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -69.45 -40.37 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.948 HD13 HD21 ' A' ' 140' ' ' LEU . 20.0 mt -67.29 -11.8 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.1 m-85 -125.67 0.24 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -103.74 -52.01 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.491 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 31.4 mm-40 -49.9 -24.67 2.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -55.32 -27.67 48.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.98 -80.52 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.74 122.67 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 0.0 111.111 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.741 HD11 ' CG2' ' A' ' 120' ' ' VAL . 40.7 tp -134.76 119.39 18.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -46.66 77.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.15 153.51 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -144.36 105.05 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.17 121.02 24.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.75 144.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.36 125.97 30.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.4 139.28 51.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -173.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -94.13 19.03 9.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -117.77 -27.63 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.48 23.75 2.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -136.85 140.16 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.62 114.43 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -28.74 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.92 31.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.3 m -161.11 146.33 14.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.066 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.86 159.74 40.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.51 128.0 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.741 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.32 141.29 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -115.38 139.46 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 77' ' ' LEU . 36.3 m-85 -111.51 153.6 25.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.46 -13.41 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.477 ' HB2' HG23 ' A' ' 71' ' ' VAL . 1.3 ptm180 -142.13 172.58 12.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -91.91 -36.7 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.0 -49.01 61.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -44.19 85.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -55.03 36.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.35 -34.17 73.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.758 ' CD ' HG12 ' B' ' 104' ' ' VAL . 20.0 mmtt -59.87 -73.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -58.15 -26.49 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.427 ' HA ' HG21 ' A' ' 147' ' ' ILE . 12.2 ttp -62.1 -56.5 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -15.21 60.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.645 ' CD ' HG21 ' B' ' 104' ' ' VAL . 23.4 mm100 -89.91 -17.01 28.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.538 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.7 m-85 -117.22 -15.35 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -53.38 110.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.47 19.73 58.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.422 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.442 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -105.11 145.23 30.35 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.587 0.708 . . . . 0.0 111.085 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.585 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.7 Cg_endo -69.85 157.5 60.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.948 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -134.76 81.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 73.07 7.62 5.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.78 33.91 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.57 115.32 1.03 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.816 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.98 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.245 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.484 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -137.94 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 120.44 25.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.538 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.6 138.86 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -133.17 117.38 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.38 136.18 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.94 135.86 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.27 104.66 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.9 t -70.98 -169.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.5 -10.53 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -119.73 25.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.36 36.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.64 175.35 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -130.27 100.05 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.6 165.37 20.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.804 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -149.71 178.22 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -104.28 166.55 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -115.99 -26.89 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -52.03 142.65 15.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.7 t60 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.884 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 CA-C-O 121.457 0.476 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 108.33 2.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.9 mt -98.16 136.47 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.46 88.97 1.31 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.47 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -151.99 134.31 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.758 HG12 ' CD ' ' A' ' 130' ' ' LYS . 13.6 m -62.35 -177.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.649 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -98.26 -23.48 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.649 ' C ' ' O ' ' B' ' 105' ' ' TRP . 45.4 m -12.69 108.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -114.42 17.68 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -87.52 145.05 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.47 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -50.91 -88.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.613 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -59.71 115.95 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -163.49 151.94 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -156.39 157.68 31.16 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.594 0.712 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 161.88 44.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.74 112.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 p -74.48 172.81 11.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' B' ' 117' ' ' PRO . 0.0 OUTLIER -174.9 -61.8 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.721 0.772 . . . . 0.0 110.971 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 117' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 116' ' ' SER . 54.5 Cg_endo -69.71 158.86 55.57 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.618 2.212 . . . . 0.0 112.392 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -168.14 172.4 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -136.37 166.67 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -137.42 107.89 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.29 152.8 23.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.14 126.64 40.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -143.54 167.53 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.53 149.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.19 121.16 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -89.54 101.1 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.52 159.58 18.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -108.02 160.34 27.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 167.71 23.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.727 2.285 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 116.95 4.8 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 52.3 m -113.47 110.94 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -136.09 112.01 9.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -52.69 145.89 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -97.87 137.41 20.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.35 63.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.95 163.32 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.5 p -132.29 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.426 ' O ' HG23 ' A' ' 44' ' ' THR . 15.2 mmt -140.05 178.49 7.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 43' ' ' MET . 0.9 OUTLIER -157.36 168.76 26.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.34 -147.91 11.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.15 159.4 21.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -148.33 160.02 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -140.31 146.39 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -112.56 173.12 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.95 60.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.2 142.93 31.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.95 160.56 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -25.49 28.83 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.827 2.351 . . . . 0.0 112.259 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 55.96 43.54 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.01 94.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -132.25 124.56 29.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -148.61 164.59 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -175.01 165.67 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -100.85 36.04 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.71 179.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -142.21 147.87 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.49 127.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 p -171.76 137.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.18 123.64 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.5 m -149.6 149.88 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.86 164.28 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.96 152.25 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.16 -120.83 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.448 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -116.73 164.53 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.943 0.402 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.48 65.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.512 HG21 ' HB2' ' A' ' 126' ' ' ALA . 3.9 t -87.1 113.5 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.61 -78.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 154' ' ' ILE . 7.7 t -126.75 -3.17 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.33 -175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' ' HE ' ' A' ' 125' ' ' ARG . . . -173.94 172.26 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.12 150.78 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.709 HD13 ' HB1' ' A' ' 128' ' ' ALA . 3.9 tp -133.21 110.56 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.6 tp -97.91 117.69 32.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.827 HG12 HD21 ' A' ' 82' ' ' LEU . 7.8 t -101.58 119.92 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.9 OUTLIER -109.45 168.33 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.4 t30 60.31 56.64 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.827 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -95.67 179.53 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.45 171.44 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 10.94 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.9 -39.02 1.92 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.4 m -62.85 120.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.4 p -100.79 152.26 20.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.67 -45.62 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.17 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -53.32 -42.68 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.9 mm -69.76 -39.04 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -58.38 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.823 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.73 -35.44 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.118 HD13 HD21 ' A' ' 140' ' ' LEU . 32.9 mt -78.58 -11.51 59.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.4 m-85 -120.33 1.25 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -110.41 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 57.9 mm-40 -45.35 -31.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 24.1 m-85 -53.62 -55.35 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.8 -67.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.426 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.72 147.96 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 104' ' ' ALA . 2.7 tt -144.68 108.97 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -62.45 -49.89 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 119.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -117.67 99.07 6.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.71 126.08 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.1 p -85.44 144.5 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 115' ' ' LEU . 1.9 m-20 -76.38 131.15 38.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.791 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -125.19 131.98 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.77 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -95.55 25.36 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -115.76 -28.97 6.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.34 23.66 2.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.408 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -147.06 155.0 41.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.76 121.97 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -58.86 -25.85 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.01 30.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.7 m -161.99 146.36 12.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.836 0.351 . . . . 0.0 111.039 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.02 150.69 51.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -119.89 134.51 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.28 143.1 26.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -123.02 134.1 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' A' ' 77' ' ' LEU . 35.8 m-85 -112.77 153.22 28.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.8 -10.74 47.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.6 ptp180 -147.97 135.33 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.576 ' HD2' HD21 ' A' ' 149' ' ' LEU . 8.4 tpp85 -61.74 -17.25 55.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.0 -50.66 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -70.15 -42.42 72.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.709 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.46 -55.1 35.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -60.05 -37.15 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.55 ' CD ' HG12 ' B' ' 104' ' ' VAL . 35.8 mmtt -57.96 -69.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -63.1 -20.48 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.677 ' HE1' HD13 ' A' ' 149' ' ' LEU . 7.5 ttm -63.03 -57.18 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -23.19 59.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.88 -27.86 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.54 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.8 m-85 -106.62 -10.16 16.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.28 108.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.61 18.45 37.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.376 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.484 HG21 ' H ' ' B' ' 112' ' ' ARG . 1.2 t -98.64 146.62 31.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.451 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.9 Cg_endo -69.87 157.38 60.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.118 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -132.93 79.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.1 t0 70.65 11.46 7.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.73 37.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -169.03 112.99 0.52 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.968 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.68 138.37 37.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.607 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.18 158.0 45.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.59 117.14 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -93.67 136.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -131.89 135.35 46.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.677 HD13 ' HE1' ' A' ' 132' ' ' MET . 13.6 tp -73.81 129.08 37.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.13 135.13 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 155' ' ' ASP . . . -63.98 134.69 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t -97.59 -170.72 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.83 -15.43 61.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ILE . . . . . 0.524 HD13 ' CG2' ' A' ' 73' ' ' THR . 2.7 pp -96.77 -10.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.434 ' CB ' ' HB1' ' A' ' 151' ' ' ALA . 34.3 m-20 -94.23 39.53 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -32.05 57.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -141.68 169.74 17.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -119.65 49.68 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -125.8 169.36 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.23 171.58 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -115.93 26.79 9.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 54.27 43.94 29.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 CA-C-O 121.532 0.518 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.96 68.36 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.02 151.61 23.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.96 89.83 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 57.8 p -141.83 148.79 39.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 0.0 110.772 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' B' ' 105' ' ' TRP . 3.6 m -62.52 -16.54 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.565 ' HB3' ' O ' ' B' ' 104' ' ' VAL . 0.1 OUTLIER 71.96 -17.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.5 ' H ' ' C ' ' B' ' 104' ' ' VAL . 16.7 p -31.4 107.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -136.98 77.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.671 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.47 150.83 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -22.56 -83.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.492 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -107.91 126.78 53.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ARG . . . . . 0.449 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -168.05 172.16 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.484 ' H ' HG21 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -179.56 155.2 0.75 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.549 0.69 . . . . 0.0 110.886 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 171.31 14.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.9 p -123.63 -39.14 2.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.1 168.29 26.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -128.48 69.55 79.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -171.2 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -166.45 147.74 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -150.83 178.86 8.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -141.17 165.87 26.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.68 21.49 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.408 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.93 -153.54 23.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -145.94 168.6 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.58 149.82 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.99 -176.51 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -120.82 179.94 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 128' ' ' GLN . 4.3 pp -128.83 -176.16 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLN . . . . . 0.482 ' N ' HD12 ' B' ' 127' ' ' LEU . 8.3 pt20 -147.41 157.44 45.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 167.71 23.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.618 2.212 . . . . 0.0 112.419 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.72 167.69 23.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.2 61.26 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -131.01 131.28 44.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -140.95 117.53 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.24 132.35 40.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -78.65 136.33 59.42 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 149.93 67.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.612 2.208 . . . . 0.0 112.49 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.86 142.54 28.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.45 177.2 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -125.85 -178.23 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 ptp -167.39 168.26 13.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -163.84 166.1 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.13 149.13 5.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.49 135.0 2.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.52 150.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -176.1 153.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.5 tpp -176.36 140.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.19 59.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -84.9 160.58 55.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -47.92 0.82 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -165.65 106.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -62.27 165.45 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.62 162.48 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -152.85 168.54 25.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -178.92 161.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -174.16 93.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.98 172.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -169.3 146.57 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -168.25 145.77 4.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -175.23 165.48 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.94 126.09 2.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.546 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 t -175.18 151.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.66 153.96 8.32 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.516 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.15 143.24 3.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -111.87 -102.58 2.64 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.568 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.37 -179.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -129.6 -102.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.417 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG23 ' HB2' ' A' ' 124' ' ' ARG . 7.5 p -76.48 138.1 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.59 -76.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -33.59 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.45 173.35 28.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.08 156.03 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 6.4 mtmt -100.91 149.81 23.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.5 tp -132.87 103.46 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -91.68 111.92 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 82' ' ' LEU . 11.2 t -95.34 139.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 117' ' ' THR . 42.1 m -130.22 175.63 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.4 t30 63.83 42.08 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.964 HD12 HG21 ' A' ' 86' ' ' VAL . 4.5 mm? -90.87 -176.69 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 2.98 16.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.7 -45.03 5.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.58 144.42 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -115.93 145.24 43.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.25 -49.77 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.56 94.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -53.74 -45.08 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.9 mm -69.95 -39.71 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.0 tt0 -55.54 -56.05 24.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -66.62 -37.75 85.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 HD21 ' A' ' 140' ' ' LEU . 24.8 mt -71.97 -12.45 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.722 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -122.79 0.92 9.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -108.92 -50.77 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 0.0 OUTLIER -48.31 -26.85 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -43.2 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.26 -76.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.82 122.08 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.807 HD11 ' CG2' ' A' ' 120' ' ' VAL . 42.2 tp -133.46 127.57 33.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -73.85 -47.5 37.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.32 132.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.768 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.65 101.45 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.79 40.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.27 142.0 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' HD21 ' A' ' 115' ' ' LEU . 5.0 m-20 -73.22 131.15 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.21 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -59.47 -172.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -96.79 26.26 4.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -119.82 -30.39 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.55 23.44 2.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -143.0 138.66 30.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.89 116.83 3.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -52.29 -28.73 20.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.4 31.77 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.387 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.0 m -159.89 147.07 16.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.621 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.14 150.2 50.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.51 122.93 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.807 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -142.62 141.93 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -120.79 141.03 50.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.508 ' CE1' HD22 ' A' ' 77' ' ' LEU . 29.7 m-85 -109.72 151.01 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -75.83 -12.39 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.594 ' HB2' HG23 ' A' ' 71' ' ' VAL . 8.5 ptp180 -143.48 176.16 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -93.91 -38.75 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.747 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.46 -53.69 27.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -58.28 -46.57 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.687 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.05 -51.38 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -58.79 -34.72 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.47 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.32 -74.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.53 -25.05 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.516 ' HA ' HG21 ' A' ' 147' ' ' ILE . 9.4 ttp -64.48 -56.37 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -15.29 61.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.667 ' CD ' HG21 ' B' ' 104' ' ' VAL . 28.7 mm100 -89.57 -22.22 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.551 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 20.8 m-85 -112.49 -7.75 13.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -53.82 108.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.81 17.2 41.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -96.37 146.73 31.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.4 Cg_endo -69.79 156.93 62.0 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.461 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 1.075 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -136.16 85.22 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.5 t0 73.0 7.94 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.94 34.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.1 117.89 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.54 35.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -135.25 153.97 51.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.16 118.31 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.662 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.98 132.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -126.11 135.3 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.1 135.51 38.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 65.9 t -126.68 135.39 63.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.05 108.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.2 p -58.59 -174.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -102.09 -5.24 24.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -109.42 21.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -101.35 57.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 156' ' ' LEU . 3.8 mm? -103.17 176.87 5.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -105.16 30.94 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -151.63 175.79 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.7 t60 61.37 53.32 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -123.14 26.47 8.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -115.94 38.15 3.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -76.9 -55.86 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.794 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 121.415 0.453 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 107.5 1.89 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.62 2.213 . . . . 0.0 112.369 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.75 145.97 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.02 90.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.413 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.65 158.97 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.667 HG21 ' CD ' ' A' ' 134' ' ' GLN . 4.0 m -113.34 -179.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.501 ' CZ2' ' HB2' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -88.3 -21.09 24.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.497 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -30.02 108.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -139.97 73.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.696 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.22 148.59 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -33.14 -83.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.569 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -81.01 116.83 21.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.11 147.76 8.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -52.44 160.47 1.31 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.528 0.68 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.11 50.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 21.8 p -137.53 127.95 26.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 m -109.85 84.09 1.87 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 13.1 p -173.93 73.56 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 159.48 53.22 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.665 2.243 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -147.95 -178.42 6.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -128.05 114.6 17.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -119.98 156.79 30.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -112.61 156.51 15.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.599 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.44 138.7 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.6 144.85 26.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.65 156.67 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -170.18 127.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -157.48 109.74 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.9 pp -140.41 148.09 40.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -163.12 70.49 1.93 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 167.77 23.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.76 2.307 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.89 145.26 55.86 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 24.4 m -81.48 122.56 27.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -130.84 156.18 45.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.32 39.72 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -51.7 156.86 2.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.618 0.723 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 130.34 19.05 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.236 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -114.63 143.44 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 mmm . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.783 0.325 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.1 169.6 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -160.59 -178.33 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -174.92 161.08 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 m -160.18 150.88 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.24 -176.07 33.93 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.504 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.52 -176.62 27.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -175.16 130.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -174.76 144.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.23 167.03 3.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.99 108.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -108.45 147.62 31.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.42 160.6 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -85.65 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 112.394 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -176.02 112.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -93.84 167.95 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.63 164.75 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -159.08 165.12 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.69 175.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -152.98 110.41 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.02 172.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -122.46 -178.51 3.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -175.03 145.07 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -175.07 174.04 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.27 159.45 24.75 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.1 t -105.49 -74.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.7 174.5 23.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.01 -179.19 32.71 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.94 -116.52 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.73 24.75 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.41 -42.04 28.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.456 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.537 HG23 ' H ' ' A' ' 125' ' ' ARG . 7.7 p -100.82 140.28 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.58 -79.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -4.46 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.82 -175.47 21.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.42 174.54 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -104.87 146.09 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.7 tp -132.34 109.09 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.9 tp -97.24 116.82 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.712 HG12 HD21 ' A' ' 82' ' ' LEU . 1.8 t -93.32 130.98 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 m -123.71 165.9 16.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 62.65 47.6 4.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.739 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -89.43 179.82 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -119.8 173.45 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.45 12.51 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.25 -39.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.795 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.1 m -63.54 121.62 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -103.73 155.21 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.751 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.44 -36.97 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.94 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.69 -43.13 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.795 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -73.1 -40.08 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.21 -48.15 74.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.45 -39.44 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD21 ' A' ' 140' ' ' LEU . 17.9 mt -71.41 -9.55 58.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -122.49 -6.43 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -102.65 -52.46 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.436 ' HB3' ' NE1' ' B' ' 105' ' ' TRP . 50.2 mm-40 -48.68 -25.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.5 m-85 -52.2 -52.63 51.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.34 -72.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.19 115.87 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.831 HD11 ' CG2' ' A' ' 120' ' ' VAL . 30.6 tp -121.02 126.44 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -47.57 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -179.23 124.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -117.34 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . . . -146.64 121.62 10.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.9 p -83.03 145.04 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.13 129.49 34.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -119.81 138.23 53.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -174.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.957 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 27.45 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -118.14 -29.56 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.24 27.55 1.64 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -152.31 157.98 42.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.35 124.6 23.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.81 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.2 30.79 0.83 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.6 m -160.02 146.83 16.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.89 157.8 43.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -133.96 124.52 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.831 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -143.23 142.68 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.444 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 4.2 m-70 -114.86 140.89 48.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -112.75 155.74 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.08 -13.96 32.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -144.4 145.14 31.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.537 ' H ' HG23 ' A' ' 71' ' ' VAL . 14.3 tpp85 -66.3 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.83 -48.01 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.21 -47.51 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.99 -55.79 20.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -61.16 -34.95 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.741 ' CD ' HG12 ' B' ' 104' ' ' VAL . 0.8 OUTLIER -57.17 -71.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.626 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -61.97 -24.08 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.439 ' HA ' HG21 ' A' ' 147' ' ' ILE . 8.5 ttp -60.39 -63.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -68.83 -23.94 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.651 ' CD ' HG21 ' B' ' 104' ' ' VAL . 24.6 mm100 -78.31 -22.77 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.557 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-30 -113.3 -0.27 14.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -65.73 109.71 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.64 17.15 48.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.426 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.5 OUTLIER -100.71 141.9 23.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.653 0.739 . . . . 0.0 111.087 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.78 155.79 64.96 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.738 2.292 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.874 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -126.72 74.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 69.59 14.52 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.95 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.11 109.73 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.237 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.671 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -135.21 158.94 43.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.57 120.33 20.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.24 139.22 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -127.73 138.26 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 77' ' ' LEU . 16.9 tp -80.0 127.24 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.52 136.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.525 ' HB1' ' OD2' ' A' ' 155' ' ' ASP . . . -74.04 130.72 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -95.48 -77.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -157.99 -37.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.87 28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.525 ' OD2' ' HB1' ' A' ' 151' ' ' ALA . 2.6 p-10 -87.69 50.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.6 177.77 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.89 54.28 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.797 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -85.23 165.52 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -126.16 154.47 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -114.91 130.52 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -112.73 -26.03 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -52.1 136.93 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 65.7 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 121.347 0.415 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 136.79 34.07 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -111.56 153.83 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.51 107.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.7 m -152.86 157.31 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.741 HG12 ' CD ' ' A' ' 130' ' ' LYS . 5.5 m -57.79 -178.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -91.36 -18.11 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.516 ' C ' ' O ' ' B' ' 105' ' ' TRP . 1.4 t -28.48 111.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 23.89 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.64 HD22 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.95 148.94 24.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -37.83 -83.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -87.24 120.89 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.96 160.78 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ARG . . . . . 0.41 ' H ' HG21 ' A' ' 138' ' ' VAL . 0.0 OUTLIER 179.6 156.12 0.69 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.485 0.66 . . . . 0.0 110.963 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 154.88 67.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.622 2.215 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.4 p -102.41 133.74 46.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 21.5 p -57.09 146.25 28.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -157.98 69.49 3.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.709 0.766 . . . . 0.0 110.914 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -171.37 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.378 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.01 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -140.37 136.26 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -118.68 152.85 35.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -129.11 133.53 7.6 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.37 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.9 108.18 2.12 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -117.85 132.03 56.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 p -174.4 151.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.94 123.42 4.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -145.58 134.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 127' ' ' LEU . 3.3 pp -172.87 127.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.55 157.44 1.01 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.836 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.6 167.67 23.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 167.75 23.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.297 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 157.33 60.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.279 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 4.9 t -166.26 120.11 1.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -112.08 157.97 20.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -148.28 112.82 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.052 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -115.18 72.05 3.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.56 67.63 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.44 122.41 18.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.057 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.673 0.273 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.16 161.24 22.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -158.8 153.0 23.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ttp -95.26 173.72 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -107.17 177.83 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.81 141.95 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.92 39.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -127.55 174.06 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.288 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -126.22 147.48 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tpp -155.96 156.09 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 176.81 101.31 0.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.39 150.26 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.54 160.19 63.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.518 0.675 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -32.11 18.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.647 2.232 . . . . 0.0 112.283 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t0 62.34 48.22 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -67.32 132.82 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.72 172.84 12.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -162.16 139.47 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.41 8.99 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 52.27 35.93 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.2 118.7 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.05 176.33 12.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.54 179.54 2.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.44 165.33 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.32 159.41 14.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 t -138.11 -67.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.65 158.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.81 174.59 36.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.15 161.81 25.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -153.75 175.86 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.4 27.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.11 138.53 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.52 -78.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 t -120.73 -18.68 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.97 177.99 23.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.574 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.54 166.54 32.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.911 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -132.94 106.74 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -96.05 114.48 26.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -94.62 131.83 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 m -124.22 168.47 12.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 61.53 47.76 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 79' ' ' VAL . 4.4 mm? -90.8 175.38 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -126.79 161.21 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -5.26 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -18.15 72.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -99.11 147.06 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -121.92 158.4 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 -56.39 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.91 58.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.57 -43.29 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' CG1' ' A' ' 86' ' ' VAL . 6.5 mm -71.78 -40.08 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.782 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 11.5 mt-30 -53.28 -54.9 29.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.95 -40.21 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.848 HD13 HD21 ' A' ' 140' ' ' LEU . 18.8 mt -70.06 -10.5 58.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.714 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -125.52 1.36 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.0 -47.88 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 38.4 mm-40 -49.58 -26.58 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 8.4 m-85 -54.2 -29.51 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.32 -80.65 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.97 122.27 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 120' ' ' VAL . 50.2 tp -133.62 109.17 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.93 -48.67 75.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 158.57 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.21 105.59 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.99 122.24 21.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.1 p -84.62 144.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.01 121.04 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.77 158.97 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.27 14.66 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 64.22 24.77 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.84 3.29 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.78 23.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -152.24 112.68 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 t -50.97 122.14 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -25.94 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.51 30.18 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.8 m -161.67 146.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.17 159.05 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.063 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -131.67 127.46 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.98 142.22 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -117.43 139.13 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.528 ' CE1' HD22 ' A' ' 77' ' ' LEU . 46.8 m-85 -112.24 153.08 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.03 -15.67 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 4.3 ptm180 -144.41 140.92 29.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -65.01 -20.36 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.54 -49.56 74.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 -43.73 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.911 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.85 -50.85 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -66.04 -35.19 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 40.3 mmtt -56.69 -64.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.605 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -68.43 -26.38 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 129' ' ' LEU . 11.7 ttp -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -78.92 -29.16 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.21 -18.64 60.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB2' HD13 ' A' ' 147' ' ' ILE . 20.8 m-85 -115.42 -10.88 11.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 108.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.7 17.01 40.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.54 140.89 22.82 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.78 157.27 60.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.848 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -129.07 74.4 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t0 71.45 14.04 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.03 32.74 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 0.0 OUTLIER -162.76 109.4 1.06 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 110.836 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.68 135.98 32.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.544 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.63 159.09 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.45 121.83 24.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ILE . . . . . 0.528 HD13 ' HB2' ' A' ' 135' ' ' TYR . 1.9 mp -94.4 139.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -128.38 138.33 52.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.8 tp -82.85 131.2 35.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.96 135.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ALA . . . . . 0.74 ' HB1' ' HB3' ' A' ' 155' ' ' ASP . . . -71.24 114.36 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -168.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.26 -5.6 45.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.5 pp -116.05 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.74 ' HB3' ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -113.77 35.91 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.813 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.74 170.48 10.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -117.72 118.92 33.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -125.77 172.4 9.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -139.76 151.63 45.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -130.76 154.96 47.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -115.39 37.71 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -97.8 119.76 36.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 121.451 0.473 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 167.44 24.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.23 152.84 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.63 115.62 0.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.559 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 72.3 m -109.09 156.01 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.791 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 105' ' ' TRP . 4.9 m -53.3 -27.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' TRP . . . . . 0.552 ' HB3' ' O ' ' B' ' 104' ' ' VAL . 0.0 OUTLIER 72.19 -15.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 8.5 t -27.71 108.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -134.39 78.97 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LEU . . . . . 0.594 HD13 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -134.11 149.64 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 109' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.59 -85.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.57 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.512 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -97.52 116.63 30.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.12 135.35 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.23 153.31 30.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.555 0.693 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.15 13.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 29.7 p -92.75 92.5 7.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 62.8 m -51.08 117.35 2.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.03 160.19 30.79 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.711 0.767 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 176.88 6.19 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 62.76 69.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -139.19 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -161.78 165.8 27.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.23 158.77 17.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.424 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -131.73 -146.72 5.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.439 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -156.32 162.25 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 60.2 t -136.2 109.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.7 147.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -145.56 142.33 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 pp -173.42 136.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -173.85 73.54 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.73 23.49 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 112.22 3.0 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.767 2.311 . . . . 0.0 112.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 157.5 60.15 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 3.2 p -100.65 139.84 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.162 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -109.62 157.26 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -163.58 153.12 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -93.34 137.44 23.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.54 65.85 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -122.66 122.47 38.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.829 0.347 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.69 -179.92 26.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.14 160.16 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -101.4 146.14 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.58 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.7 tp -129.71 110.38 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -98.24 110.92 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.678 HG12 HD21 ' A' ' 82' ' ' LEU . 4.6 t -93.01 141.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -135.42 173.24 11.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 61.65 40.34 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -80.01 -179.74 7.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 175.11 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.0 12.54 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -105.18 -39.2 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.941 HG21 HD12 ' A' ' 82' ' ' LEU . 2.0 m -63.43 129.34 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -109.86 154.56 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.33 -51.2 6.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.94 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -52.56 -47.86 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.768 HD11 ' HB ' ' A' ' 86' ' ' VAL . 3.7 mm -69.49 -38.06 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.76 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.3 -61.85 2.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -64.58 -40.94 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.09 HD13 HD21 ' A' ' 140' ' ' LEU . 25.8 mt -65.04 -14.41 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.2 m-85 -124.56 0.88 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.56 -53.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.465 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 8.4 mm-40 -49.67 -25.44 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -53.56 -33.57 55.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.9 -76.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -128.71 123.28 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.158 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 120' ' ' VAL . 60.6 tp -132.05 115.32 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.42 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 155.1 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.76 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.75 97.35 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.45 123.47 31.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -87.02 142.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.18 129.56 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -124.87 130.78 53.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -59.1 -175.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 t -117.52 -24.01 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.71 24.05 4.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -143.87 142.23 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 115.1 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -28.92 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.77 33.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -157.85 146.94 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.163 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -133.51 154.73 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -131.5 125.55 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.66 140.49 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 4.4 m170 -114.38 141.39 47.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 77' ' ' LEU . 43.4 m-85 -113.0 149.46 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 100' ' ' THR . 1.4 mt-10 -79.03 -15.71 57.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -141.24 175.08 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -91.57 -35.76 14.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.37 -48.87 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -66.58 -42.95 86.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.46 -60.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.09 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -57.42 -74.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.23 -21.76 62.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.113 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.8 ttm -61.75 -64.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -70.59 -20.7 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 131' ' ' ALA . 21.3 mm100 -79.61 -26.17 41.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.9 m-85 -110.48 -5.0 15.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.1 108.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.97 17.2 43.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -96.79 147.23 32.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 111.16 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.1 Cg_endo -69.73 157.75 59.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.611 2.208 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.09 HD21 HD13 ' A' ' 94' ' ' LEU . 1.3 tm? -136.93 83.79 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 t70 73.62 6.52 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.07 34.43 0.68 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.416 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -164.26 116.93 0.99 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 137.95 36.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.555 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.78 160.23 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -129.62 120.99 26.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.618 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.92 137.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -125.51 138.52 53.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.504 HD13 ' CE ' ' A' ' 132' ' ' MET . 20.4 tp -81.43 125.99 31.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.29 136.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.97 107.77 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.9 -179.852 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.606 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.739 0.304 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.606 ' C ' ' O ' ' B' ' 105' ' ' TRP . 62.4 m -18.48 109.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 65.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.608 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -133.11 149.11 52.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.475 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -45.23 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.608 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.809 0.338 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.0 173.09 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.87 159.7 36.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.71 150.09 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.656 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.97 112.44 10.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.4 tp -99.19 120.05 38.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.724 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -98.4 126.16 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.78 167.03 11.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.23 53.49 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 86' ' ' VAL . 4.0 mm? -94.15 179.02 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.71 172.0 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.02 9.99 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.2 -40.88 2.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -64.08 119.55 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.17 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -98.88 148.61 23.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.7 -40.55 4.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.5 72.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -53.52 -44.03 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.2 mm -71.03 -35.49 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 12.4 tp60 -57.91 -51.42 69.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.74 -34.43 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.007 HD13 HD21 ' A' ' 140' ' ' LEU . 15.2 mt -73.71 -13.39 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.569 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.6 m-85 -119.74 -7.17 10.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.532 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.99 -49.58 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 48.9 mm-40 -49.46 -26.33 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -54.88 -30.22 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.02 -78.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -130.39 121.63 26.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.772 0.32 . . . . 0.0 111.091 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 104' ' ' ALA . 64.3 tp -134.14 120.45 20.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 155.91 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -151.83 101.5 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.55 126.15 30.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.549 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.4 p -84.09 142.96 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 115' ' ' LEU . 6.3 m-20 -75.52 130.48 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 114' ' ' SER . 2.6 m-85 -123.17 137.6 54.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.39 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -93.36 18.69 9.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -116.9 -25.64 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.66 23.49 3.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -136.37 138.62 41.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 108' ' ' TYR . 1.4 t -60.07 115.47 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.33 -28.83 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.37 29.4 0.92 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 6.4 m -161.32 146.24 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.549 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -132.55 157.08 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -122.18 135.98 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.612 ' CG1' HD11 ' A' ' 101' ' ' LEU . 61.8 t -143.23 142.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.23 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.622 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.8 m170 -125.59 126.86 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 77' ' ' LEU . 55.6 m-85 -105.82 149.58 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.7 mt-10 -82.1 -11.91 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -142.01 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -91.91 -36.68 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.98 -50.5 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -41.89 96.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HE3' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -56.8 -33.94 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.464 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 53.1 mmtt -61.13 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.32 -23.78 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 149' ' ' LEU . 10.4 ttp -63.7 -63.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' HD12 ' A' ' 129' ' ' LEU . 13.0 ptpt -65.53 -22.29 66.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -82.71 -24.42 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-85 -111.71 8.08 20.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -75.45 109.33 8.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.47 14.61 55.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.565 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.0 OUTLIER -100.15 146.27 31.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.74 158.6 56.44 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 94' ' ' LEU . 1.1 tm? -136.19 82.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.1 t0 74.73 5.86 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.46 33.49 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.58 117.48 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.4 Cg_endo -69.7 137.93 36.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.515 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -138.06 157.64 45.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.74 120.23 24.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.555 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.35 139.27 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -130.68 136.81 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 77' ' ' LEU . 11.5 tp -75.63 127.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.1 136.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -72.91 140.16 47.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.556 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.556 ' C ' ' O ' ' B' ' 105' ' ' TRP . 60.0 p -23.86 110.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -139.22 74.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.62 149.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.417 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -42.13 -89.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.573 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.73 0.3 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.82 -177.25 21.47 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.29 159.03 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -98.44 147.9 24.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.549 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.11 110.47 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.1 tp -98.0 116.32 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.756 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -95.56 130.97 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.253 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.416 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.2 m -123.13 168.38 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 t30 60.22 49.45 7.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.756 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -88.77 178.85 6.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -119.06 166.73 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.2 6.88 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.05 -41.88 2.53 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.406 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.728 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.7 m -63.02 126.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.5 p -108.33 156.25 19.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.38 -55.15 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.57 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -53.1 -45.73 68.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.728 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.83 -38.03 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.6 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -54.61 -54.37 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -68.55 -40.97 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.92 HD13 HD21 ' A' ' 140' ' ' LEU . 17.8 mt -68.12 -12.51 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.674 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.4 m-85 -123.07 -1.58 8.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.73 -52.98 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.449 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 36.1 mm-40 -48.42 -25.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -52.53 -43.74 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 118.36 20.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 120' ' ' VAL . 41.3 tp -128.05 124.41 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -71.81 -43.67 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.559 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -176.61 151.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -143.44 106.01 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.81 119.79 19.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.5 p -84.01 144.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.566 ' HB3' HD21 ' A' ' 115' ' ' LEU . 15.8 m-20 -79.04 126.36 30.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -118.36 141.4 48.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -172.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -93.59 17.99 10.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.39 -26.66 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.84 22.79 3.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -134.61 138.19 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 113.41 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.55 -29.84 18.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 32.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.4 m -161.32 145.97 13.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.94 158.01 45.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -130.17 126.85 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.763 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.46 141.32 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -117.62 139.13 51.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -109.34 152.81 24.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.77 -17.0 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.46 173.71 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.02 -37.86 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.477 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.12 -48.5 61.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.88 -40.41 97.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.0 -61.23 2.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.8 -32.06 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -60.82 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.04 -24.09 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.45 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.9 ttp -63.92 -53.23 53.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -76.22 -20.28 57.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -85.06 -20.5 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.515 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -113.5 -10.86 13.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -52.04 108.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 57.87 18.73 33.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.75 143.17 25.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.636 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.4 Cg_endo -69.93 158.43 56.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.92 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -130.45 74.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 1.8 t70 69.75 13.83 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.5 36.36 0.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.59 109.31 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.3 Cg_endo -69.7 136.64 33.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.625 2.216 . . . . 0.0 112.274 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.595 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.95 160.27 38.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.32 121.45 23.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.2 138.54 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -126.42 138.52 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.2 tp -83.96 126.36 32.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.27 135.95 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.16 122.87 23.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.0 p . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.808 -179.812 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.49 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.75 0.31 . . . . 0.0 110.966 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.49 ' C ' ' O ' ' B' ' 105' ' ' TRP . 50.1 p -29.64 110.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.18 56.78 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.588 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -117.36 148.9 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -43.95 -90.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.636 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.849 0.356 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.48 -176.74 22.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.81 156.27 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 147.17 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.9 tp -129.86 106.15 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -92.91 111.92 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 1.9 t -91.67 142.44 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 m -136.46 171.05 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.0 t30 57.25 46.86 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -86.03 176.52 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' A' ' 143' ' ' ARG . 25.5 t0 -113.97 166.71 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.51 7.57 14.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.59 -41.61 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.781 ' HB ' HD11 ' A' ' 91' ' ' ILE . 2.0 m -63.34 123.89 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -105.34 155.38 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.5 -41.54 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.62 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.91 -43.41 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -70.99 -38.87 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.776 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.41 -52.11 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -71.3 -37.92 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.967 HD13 HD21 ' A' ' 140' ' ' LEU . 14.3 mt -70.67 -11.92 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.585 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.1 m-85 -121.98 -6.41 8.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.2 -50.92 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 28.2 mm-40 -47.82 -27.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.25 -38.28 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 166.72 -77.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.595 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.74 120.3 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' CG1' ' A' ' 120' ' ' VAL . 65.5 tp -131.74 123.53 27.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -71.23 -43.07 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.35 158.26 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.22 98.08 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.16 120.44 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.6 p -82.25 143.89 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 19.6 t0 -78.68 130.39 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.05 130.33 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.22 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -94.58 27.63 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -118.83 -30.82 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.14 28.98 1.27 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -153.65 155.02 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -64.99 110.74 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.5 -25.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.654 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.58 35.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -162.14 147.11 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -137.1 155.95 48.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -124.37 132.78 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.691 ' CG1' HD11 ' A' ' 101' ' ' LEU . 21.7 t -142.98 142.76 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.9 m170 -124.09 134.09 53.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.5 m-85 -113.77 150.25 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -82.33 -15.07 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.412 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -137.23 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.3 ttm-85 -91.37 -37.74 13.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.81 -48.93 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.24 -41.95 99.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.11 -61.92 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -54.36 -31.98 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.46 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.5 mmpt? -62.07 -76.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.02 -22.72 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.608 ' CE ' HD13 ' A' ' 149' ' ' LEU . 13.2 ttp -65.93 -55.35 17.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -72.93 -19.13 61.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -87.16 -23.15 24.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.787 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.507 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.4 m-30 -110.79 -4.99 15.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 108.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.87 36.47 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.668 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -99.58 146.63 32.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.705 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.88 161.95 44.01 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.559 2.173 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.967 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -136.12 75.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 70.91 14.31 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.69 36.85 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -168.09 112.0 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.2 Cg_endo -69.62 138.88 39.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.35 158.02 45.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.13 118.83 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.507 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.46 138.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -126.15 138.03 53.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.9 tp -81.65 129.18 34.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 40.7 t -127.03 132.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.03 103.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.557 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.777 0.322 . . . . 0.0 110.958 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.557 ' C ' ' O ' ' B' ' 105' ' ' TRP . 47.4 t -24.44 112.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -134.45 67.67 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.723 HD22 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.96 149.75 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -27.91 -84.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.502 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.751 0.31 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.38 -178.16 20.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.28 153.85 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -95.25 149.7 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.597 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.6 tp -133.65 109.93 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 tp -97.44 112.1 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 82' ' ' LEU . 6.3 t -93.65 140.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 117' ' ' THR . 18.2 m -134.18 175.39 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.0 t30 59.89 44.73 13.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -87.55 177.16 7.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.56 173.88 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 8.59 26.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -95.63 -9.34 57.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.65 164.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -135.63 150.66 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.39 -57.9 3.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.58 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -53.45 -44.02 68.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.7 mm -71.22 -36.13 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.641 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -56.55 -52.11 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.57 -33.94 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.934 HD13 HD21 ' A' ' 140' ' ' LEU . 14.0 mt -73.36 -12.67 60.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -121.91 -6.55 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -99.91 -48.33 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 17.2 mm-40 -50.41 -25.08 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -56.59 -29.76 62.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.51 -81.02 0.16 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 119.1 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 67.9 tp -130.04 119.32 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -65.17 -43.95 90.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 156.47 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -149.53 104.24 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.71 122.79 22.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -83.69 144.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 115' ' ' LEU . 28.1 m-20 -80.38 123.25 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.34 152.05 26.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -168.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 61.7 mmt-85 -95.58 29.76 2.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -131.58 -41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 135.22 37.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -152.66 142.85 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -59.48 115.85 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.36 -24.29 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.84 30.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.5 m -162.0 146.12 12.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.712 0.291 . . . . 0.0 111.13 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -137.35 155.95 48.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 101' ' ' LEU . 15.1 t -143.59 143.0 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.637 ' O ' HD12 ' A' ' 101' ' ' LEU . 8.5 m170 -125.53 131.25 52.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.539 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.7 m-85 -110.1 149.09 30.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.12 -14.0 58.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -142.09 176.94 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.922 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -92.78 -37.71 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.04 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.53 -48.12 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -56.12 24.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -57.22 -36.3 70.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 3.5 mmtm -59.35 -72.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.13 -24.34 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.45 -53.66 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -19.74 58.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -85.47 -21.19 28.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.4 m-30 -111.6 -13.56 13.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 109.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.12 18.08 40.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.406 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.687 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -98.14 146.1 30.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.687 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.6 Cg_endo -69.77 156.34 63.56 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.934 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -136.87 85.06 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.2 t0 75.64 5.52 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.75 31.24 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.54 118.82 1.52 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.8 Cg_endo -69.81 139.23 39.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.528 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.37 159.56 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.01 122.83 33.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.96 134.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -121.84 138.87 54.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 77' ' ' LEU . 22.6 tp -84.81 128.62 34.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.0 134.21 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.31 110.93 4.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.56 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.837 0.351 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.56 ' C ' ' O ' ' B' ' 105' ' ' TRP . 81.6 p -24.53 112.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.6 62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.48 150.84 48.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.62 -83.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.503 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.838 0.352 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.43 174.51 27.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.4 155.56 24.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.945 0.402 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 4.3 mtmt -98.86 146.17 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.032 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.2 tp -128.34 109.48 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -100.38 109.69 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.696 HG22 HG13 ' A' ' 147' ' ' ILE . 5.6 t -91.37 140.31 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 45.7 m -133.05 174.34 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t30 61.79 41.85 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -83.77 175.68 9.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -128.68 174.57 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 113' ' ' ARG . 0.5 OUTLIER -89.31 13.41 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.441 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -103.4 -6.43 44.55 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.48 164.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -138.09 150.07 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.33 -55.92 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.74 -46.6 59.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.9 -44.55 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' CG1' ' A' ' 86' ' ' VAL . 4.7 mm -71.56 -37.46 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 4.8 mt-30 -53.38 -55.79 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.2 -38.71 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.86 HD13 HD21 ' A' ' 140' ' ' LEU . 14.6 mt -68.95 -11.54 60.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.665 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.4 m-85 -125.57 -1.44 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -103.3 -49.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.8 mm-40 -48.56 -26.35 2.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.0 m-85 -53.77 -31.63 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.81 -78.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.419 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -124.6 119.76 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.194 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' CG1' ' A' ' 120' ' ' VAL . 62.2 tp -130.9 111.19 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -56.27 -47.22 79.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.64 153.08 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -142.05 113.78 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.84 121.01 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.0 p -82.15 144.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.36 125.51 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -110.61 137.18 48.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -59.64 -171.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -93.16 24.03 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -119.01 -29.14 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.74 22.17 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -142.11 149.86 40.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -55.37 111.12 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -53.56 -23.34 10.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.615 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.3 29.24 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.2 m -162.42 146.53 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.75 152.03 50.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -118.11 134.73 54.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.731 ' CG1' HD11 ' A' ' 101' ' ' LEU . 12.1 t -144.13 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.66 ' O ' HD12 ' A' ' 101' ' ' LEU . 10.5 m170 -124.3 136.06 53.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.593 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.7 m-85 -115.35 148.43 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HG3' HG22 ' A' ' 100' ' ' THR . 2.4 mt-10 -79.55 -14.2 59.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.586 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 5.9 ptm180 -146.22 138.58 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.483 ' HE ' HD21 ' A' ' 149' ' ' LEU . 0.1 OUTLIER -62.2 -19.71 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -61.13 -49.79 75.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.21 -42.07 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.032 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.06 -50.88 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -66.12 -34.96 79.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 2.6 mttt -57.56 -65.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -65.39 -26.87 68.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.654 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.5 ttp -58.94 -58.62 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.45 -25.23 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -77.39 -20.3 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.568 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.5 m-85 -115.2 -6.33 12.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 108.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.2 14.74 48.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -91.59 143.15 27.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.7 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.594 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.1 Cg_endo -69.92 157.52 59.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -134.11 82.0 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.463 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.5 m-20 74.03 7.68 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.57 30.35 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.441 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -158.94 116.62 1.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.68 138.52 38.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 2.228 . . . . 0.0 112.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.568 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.65 155.59 49.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.696 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -94.45 138.94 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -127.47 135.74 50.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.654 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.5 tp -77.23 133.81 38.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 42.7 t -126.7 135.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.91 123.5 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.558 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.558 ' C ' ' O ' ' B' ' 105' ' ' TRP . 98.3 p -23.08 112.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -144.82 77.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.54 148.87 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.95 -82.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.419 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.594 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.21 176.87 25.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.98 36.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.385 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HG2' ' CD2' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -101.37 143.48 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -131.37 113.25 13.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.0 tp -102.08 116.04 31.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.655 HG12 HD21 ' A' ' 82' ' ' LEU . 1.7 t -90.46 134.13 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -126.98 167.81 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.4 t30 61.7 43.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.847 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -84.74 178.17 7.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.73 174.11 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.88 11.7 12.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.13 -41.08 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.847 HG21 HD12 ' A' ' 82' ' ' LEU . 2.5 m -63.56 125.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -107.72 156.54 18.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.72 -40.09 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.9 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -71.79 -40.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.688 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.7 -53.32 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.14 -41.66 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 140' ' ' LEU . 21.2 mt -68.15 -11.02 58.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.543 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -120.99 -8.52 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.62 -52.75 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.9 mm-40 -47.19 -27.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.35 -40.64 65.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.64 -76.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 120.45 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 120' ' ' VAL . 67.7 tp -131.87 125.53 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 121' ' ' HIS . 5.1 mtmm -70.76 -48.58 53.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.83 133.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.956 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -121.78 106.86 11.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.98 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.682 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.0 p -83.63 144.54 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.438 ' CB ' HD21 ' A' ' 115' ' ' LEU . 6.1 m-20 -78.92 130.3 35.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.86 134.37 54.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.63 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.12 22.0 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -115.67 -21.91 9.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 21.14 6.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -139.07 152.25 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 119.02 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.99 -26.16 59.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.8 29.49 1.04 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.45 146.1 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.71 157.65 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -128.98 131.6 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.58 140.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 35.2 m170 -111.26 140.71 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.5 m-85 -116.79 147.3 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -83.19 -15.15 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 170.5 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.808 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -90.47 -36.2 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.07 -49.11 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -64.02 -42.01 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -57.47 -60.92 2.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.3 -33.32 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.469 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 1.6 mmpt? -60.9 -74.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.611 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.8 -23.54 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.574 ' CE ' HD13 ' A' ' 149' ' ' LEU . 11.2 ttp -63.89 -56.02 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -75.95 -15.77 60.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 -88.5 -20.93 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.531 ' CB ' HD13 ' A' ' 147' ' ' ILE . 20.3 m-30 -112.29 -17.79 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -53.02 110.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.92 15.24 55.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.451 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.0 OUTLIER -99.37 141.65 23.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.62 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.8 Cg_endo -69.79 159.65 52.62 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.215 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.876 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -131.41 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 0.9 OUTLIER 69.53 13.87 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.6 36.67 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.65 110.64 0.6 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.68 31.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.635 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.29 158.48 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.531 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.18 138.71 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -123.11 137.29 54.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.004 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.2 tp -81.89 125.65 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.17 135.0 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.29 106.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.58 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.797 0.332 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.58 ' C ' ' O ' ' B' ' 105' ' ' TRP . 96.2 p -22.71 107.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -126.92 48.13 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.61 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -115.72 148.77 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.478 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -46.41 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.62 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.791 0.329 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.32 -176.9 23.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.28 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -101.26 142.62 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.2 tp -126.4 108.81 11.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.16 109.29 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.801 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -91.81 141.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 171.89 13.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.7 37.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.801 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -80.43 179.53 7.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.52 164.13 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.88 2.1 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.91 -36.82 6.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.802 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -70.84 125.96 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 111.133 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.7 p -103.39 154.19 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -56.14 3.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.06 -46.51 61.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.26 -47.92 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.802 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.0 mm -69.58 -39.9 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.702 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 7.2 mt-30 -52.02 -61.61 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.31 -41.74 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.085 HD13 HD21 ' A' ' 140' ' ' LEU . 25.6 mt -64.47 -14.61 57.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.467 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.9 m-85 -125.28 2.33 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.3 -53.26 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 25.8 mm-40 -48.98 -25.92 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.52 -33.0 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.35 -75.51 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 122.67 31.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.705 HD11 HG23 ' A' ' 120' ' ' VAL . 37.3 tp -133.7 118.82 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.5 -46.59 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.588 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 1.4 tmtt? -172.26 153.27 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -147.49 108.41 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.588 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -141.17 127.71 20.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 41.7 t -76.24 144.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.32 98.51 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.75 141.82 28.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -66.63 -167.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -90.23 18.16 6.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -116.42 -42.69 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.98 36.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -154.77 136.36 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.4 t -51.49 110.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -20.8 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.22 33.96 0.56 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -160.6 146.59 15.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.53 153.36 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -129.12 124.19 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.15 139.78 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -114.57 144.55 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 77' ' ' LEU . 31.1 m-85 -116.01 150.25 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.04 -18.68 49.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -138.22 173.74 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -91.72 -35.71 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.2 -50.14 50.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.52 -43.48 80.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.472 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.59 -58.26 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.06 -33.78 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 98' ' ' PHE . 1.3 mtmt -58.1 -73.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.651 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.01 -25.16 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.66 ' HE3' HD12 ' A' ' 149' ' ' LEU . 1.8 ttp -59.96 -63.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.78 -19.13 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -81.88 -21.92 37.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.572 ' HE1' HD23 ' B' ' 108' ' ' LEU . 19.8 m-85 -117.43 3.0 12.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 108.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.12 16.22 47.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -94.85 148.74 35.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 111.163 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.2 Cg_endo -69.76 158.71 56.01 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -138.71 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.17 6.51 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.02 33.83 0.77 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.462 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.39 118.46 1.13 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.73 139.18 39.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.618 2.212 . . . . 0.0 112.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.84 154.65 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.44 116.02 22.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.668 HG13 HG22 ' A' ' 79' ' ' VAL . 2.4 mp -93.94 125.11 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -116.0 139.01 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.66 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.9 tt -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.478 ' N ' HD23 ' A' ' 149' ' ' LEU . 68.7 t -128.05 135.86 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -77.94 124.59 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.037 0 CA-C-O 120.785 0.326 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 105' ' ' TRP . 51.8 p -28.9 112.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -143.21 80.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.658 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.15 149.59 52.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.82 -85.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.534 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.802 0.334 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.7 -173.62 24.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.55 156.47 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 146.69 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.5 tp -129.21 107.2 9.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 tp -94.83 111.23 23.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.722 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -94.54 137.31 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -130.48 170.34 14.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.4 t30 60.71 48.23 7.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.822 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -87.21 -179.46 6.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.85 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.12 10.93 12.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.69 -39.86 2.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.822 HG21 HD12 ' A' ' 82' ' ' LEU . 1.6 m -64.18 127.4 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 p -106.11 152.2 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.61 -58.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.11 63.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.42 -45.89 69.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.79 HD11 ' HB ' ' A' ' 86' ' ' VAL . 6.7 mm -68.1 -37.86 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -56.73 -51.73 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -68.16 -37.0 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 140' ' ' LEU . 29.3 mt -75.99 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' C ' HD12 ' A' ' 101' ' ' LEU . 7.2 m-85 -123.8 0.96 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -109.25 -47.27 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 27.2 mm-40 -46.97 -28.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.6 m-85 -55.43 -45.99 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.97 -65.19 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 152.58 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.126 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -151.7 111.12 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.89 -50.4 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -169.09 117.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -114.8 102.79 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HB3' ' HE3' ' A' ' 103' ' ' LYS . . . -131.98 122.9 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.81 144.61 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 115' ' ' LEU . 28.9 m-20 -76.98 129.11 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.46 129.16 52.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -94.78 26.64 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.25 -27.66 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.84 19.58 3.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -143.69 161.81 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.29 112.26 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -52.03 -23.92 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.639 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 122.89 36.41 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -161.8 147.22 13.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.99 149.38 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -128.32 121.28 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.444 HG23 HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -140.52 143.98 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -120.3 139.82 52.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 17.6 m-85 -110.72 154.0 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -84.83 -10.66 56.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -143.7 174.57 10.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.29 -37.46 12.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.31 -51.25 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.95 -44.87 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.88 -59.35 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -53.89 -35.48 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.48 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -61.17 -76.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -55.53 -24.42 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.705 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.8 ttp -62.59 -63.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.43 ' HE3' HD12 ' A' ' 129' ' ' LEU . 12.4 ptpt -71.04 -13.53 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.49 -20.86 23.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.543 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.8 m-30 -112.64 -13.98 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -52.57 110.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.89 18.33 56.77 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.66 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -103.24 148.03 35.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.3 Cg_endo -69.93 158.67 55.96 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 94' ' ' LEU . 1.4 tm? -135.94 80.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.6 t0 74.39 6.34 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 127.12 33.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -164.31 116.7 0.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.963 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.77 139.4 40.08 Favored 'Trans proline' 0 C--N 1.34 0.098 0 C-N-CA 122.685 2.257 . . . . 0.0 112.201 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.543 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.81 162.42 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.16 124.53 32.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -98.36 133.86 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -123.65 136.97 54.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.705 HD13 ' CE ' ' A' ' 132' ' ' MET . 12.4 tp -78.89 126.82 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.03 136.02 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.99 127.85 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.784 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.926 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.485 ' C ' ' O ' ' B' ' 105' ' ' TRP . 78.0 p -30.78 110.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -130.19 31.88 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.68 150.93 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -32.62 -83.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.443 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.53 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.52 -179.36 18.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.44 159.9 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -100.77 148.27 25.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.5 tp -131.96 107.09 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.47 110.39 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 3.2 t -92.6 142.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.201 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.7 m -135.85 171.55 14.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.9 t30 60.66 43.43 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.696 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -83.23 179.38 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.78 174.39 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.27 11.39 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.98 -10.27 26.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.06 124.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 p -106.38 156.14 18.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -42.28 -46.04 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.37 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.11 -43.96 67.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.3 mm -70.12 -41.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.69 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.4 mt-30 -52.24 -57.76 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.71 -40.21 91.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.095 HD13 HD21 ' A' ' 140' ' ' LEU . 28.2 mt -69.43 -11.37 60.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.672 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -123.25 -1.05 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -107.47 -50.56 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 40.8 mm-40 -48.43 -26.55 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -48.03 66.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.88 -75.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.84 119.63 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 120' ' ' VAL . 44.7 tp -129.54 129.67 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -48.01 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 134.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.0 106.77 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.25 120.13 26.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -81.55 144.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.3 t0 -79.29 129.27 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -120.15 135.62 54.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -58.22 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -92.21 38.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -136.03 -38.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.96 28.87 0.64 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -144.47 153.2 41.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.0 107.13 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.26 -25.42 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.69 35.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.06 147.18 12.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.86 152.06 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -129.66 122.23 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.82 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.2 p -142.77 143.0 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -119.77 140.79 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CE1' HD22 ' A' ' 77' ' ' LEU . 38.8 m-85 -110.41 151.79 27.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -78.89 -16.16 57.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -139.53 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -93.21 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.795 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.05 -51.83 49.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.82 -52.98 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.604 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.1 -50.71 63.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -56.62 -37.07 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -62.66 -74.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.78 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.54 -25.63 27.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.493 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.1 ttp -63.45 -62.38 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -70.61 -13.38 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -90.78 -20.71 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.533 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 17.9 m-85 -112.44 -15.23 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.09 19.17 56.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.633 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -104.23 147.75 34.84 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.68 0.752 . . . . 0.0 111.037 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.5 Cg_endo -69.82 158.51 56.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.095 HD21 HD13 ' A' ' 94' ' ' LEU . 1.7 tm? -137.13 81.99 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 t0 74.65 6.16 4.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.09 33.7 0.67 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.87 117.27 1.04 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 110.928 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.83 38.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.249 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.533 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -138.23 159.43 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.88 121.67 30.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 77' ' ' LEU . 1.8 mp -96.02 133.63 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -122.4 137.33 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.493 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.8 tp -81.91 128.83 34.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.9 t -127.01 135.89 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.7 115.98 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.813 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.577 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.742 0.306 . . . . 0.0 110.918 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.577 ' C ' ' O ' ' B' ' 105' ' ' TRP . 61.2 m -22.35 112.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -134.06 66.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.41 151.33 51.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.41 -83.68 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.475 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.532 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.53 -179.9 31.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.96 41.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.966 0.412 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -100.99 152.21 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.6 tp -134.9 107.79 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.43 114.07 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.764 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -97.98 125.43 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.407 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.01 168.77 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.5 t30 56.56 56.19 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.764 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -94.67 -178.85 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.24 164.86 13.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -86.01 8.78 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.95 -36.32 2.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.804 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.8 m -62.93 126.64 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -104.12 152.07 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -53.3 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.77 55.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.804 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.3 mm -68.27 -36.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -59.62 -49.76 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.0 -35.36 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.907 HD13 HD21 ' A' ' 140' ' ' LEU . 22.3 mt -78.15 -12.68 60.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.3 m-85 -119.74 1.3 11.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -111.56 -47.28 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.446 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 5.8 mm-40 -46.7 -28.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 4.4 m-85 -57.01 -44.4 82.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.6 -71.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.84 147.34 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.152 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -142.98 111.46 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -64.86 -50.25 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.81 119.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -115.53 113.0 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.037 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.22 127.29 14.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.0 p -88.3 144.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.485 ' CB ' HD21 ' A' ' 115' ' ' LEU . 4.1 m-20 -76.07 128.43 34.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.97 135.78 55.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -94.59 20.12 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t -118.14 -27.56 6.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.96 25.54 2.51 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -142.11 137.11 30.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -54.73 118.3 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -55.63 -25.31 38.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.97 28.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.52 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.407 HG23 ' HA ' ' A' ' 80' ' ' SER . 8.8 m -158.03 146.09 18.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -133.65 152.43 51.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.13 132.81 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.4 143.11 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.34 135.21 55.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.553 ' CE1' HD22 ' A' ' 77' ' ' LEU . 16.7 m-85 -111.92 156.18 22.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.61 -13.98 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.0 ptp180 -144.96 135.81 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -17.22 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.653 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -62.69 -53.22 57.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.6 -46.73 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.94 -49.59 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -59.74 -37.69 79.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.514 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 29.2 mmtm -62.47 -72.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.59 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.51 -25.91 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.0 ttp -64.94 -54.9 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -75.21 -15.41 60.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -90.14 -23.32 21.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.546 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.7 m-85 -108.74 -12.45 14.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 108.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.44 16.84 45.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.562 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.9 OUTLIER -95.85 144.66 28.21 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.684 0.755 . . . . 0.0 111.079 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.8 Cg_endo -69.79 159.54 53.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.246 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.907 HD21 HD13 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -132.75 75.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.4 t70 69.99 14.93 7.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.3 37.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.64 111.89 0.48 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.6 139.31 40.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.78 158.64 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.47 121.04 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.546 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.41 138.97 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -131.4 118.89 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 77' ' ' LEU . 13.1 tp -66.86 132.22 47.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.8 t -126.87 135.12 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.35 8.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 -179.768 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.569 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.778 0.323 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.569 ' C ' ' O ' ' B' ' 105' ' ' TRP . 95.9 p -23.12 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -137.38 76.55 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.527 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.3 OUTLIER -133.63 149.49 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -29.41 -85.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.451 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 -174.05 24.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.78 155.88 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -95.34 147.08 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.7 tp -131.89 109.71 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.2 tp -97.62 117.07 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.775 HG12 HD21 ' A' ' 82' ' ' LEU . 3.1 t -97.18 130.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.0 OUTLIER -122.49 168.27 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t30 61.5 50.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.775 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -90.56 178.81 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.74 171.27 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 10.72 11.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.24 -41.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 HD12 ' A' ' 82' ' ' LEU . 1.4 m -63.06 127.88 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -109.46 156.57 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.39 -55.24 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.56 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -52.84 -45.69 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -71.12 -38.45 71.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.586 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -53.8 -56.83 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.69 -40.16 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.116 HD13 HD21 ' A' ' 140' ' ' LEU . 24.0 mt -67.81 -11.97 59.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.693 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.7 m-85 -125.53 0.6 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.12 -51.51 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 12.2 mm-40 -49.06 -25.39 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.93 -33.0 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.83 -78.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.15 121.13 28.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' A' ' 120' ' ' VAL . 41.8 tp -131.84 115.52 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -61.3 -46.72 89.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 153.61 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -144.28 110.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.07 120.83 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.8 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.65 129.06 34.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -122.96 134.61 54.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -59.6 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -96.19 27.6 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.87 -31.56 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.73 27.83 1.52 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -148.0 139.52 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.16 116.39 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -29.78 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.06 32.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 80' ' ' SER . 5.2 m -161.52 146.43 13.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.636 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.25 158.39 43.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -130.98 126.83 37.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.21 141.58 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -117.45 139.08 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 77' ' ' LEU . 41.6 m-85 -109.45 152.8 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -80.73 -15.8 55.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -140.64 175.84 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -91.78 -36.73 13.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -49.88 56.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.8 -40.89 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.02 -63.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -53.67 -33.25 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.5 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.0 OUTLIER -60.26 -76.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.48 -21.85 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.601 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.0 ttp -64.14 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.1 -15.95 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -85.95 -25.06 26.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.548 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.4 m-85 -108.85 -11.95 14.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.83 110.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.27 15.67 51.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.456 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -98.63 145.96 30.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.535 0.684 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.456 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.91 158.94 55.09 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.116 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -136.71 83.55 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . 0.448 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.7 m-20 69.95 10.42 7.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.8 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.26 39.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.64 115.53 0.46 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.956 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.62 38.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.532 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.53 160.42 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 122.31 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.548 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.67 138.58 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -128.05 138.57 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.601 HD13 ' CE ' ' A' ' 132' ' ' MET . 11.9 tp -81.08 128.34 33.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.5 t -126.93 136.01 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.93 120.83 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -179.776 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.578 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.756 0.313 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.578 ' C ' ' O ' ' B' ' 105' ' ' TRP . 74.6 m -21.83 113.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -139.48 71.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.53 151.24 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -30.39 -85.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.572 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.839 0.352 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.64 179.67 18.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.42 159.39 37.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 0.6 OUTLIER -100.72 150.25 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.603 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.3 tp -136.38 110.18 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.2 tp -95.08 115.91 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 82' ' ' LEU . 1.6 t -93.72 132.45 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 12.9 m -126.61 169.44 13.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.4 t30 60.82 42.68 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 86' ' ' VAL . 3.9 mm? -82.56 -179.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.87 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.68 10.32 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.02 -38.7 2.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.9 m -63.79 128.93 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 p -106.67 151.78 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.93 -40.51 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.45 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.19 -44.74 68.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -69.93 -37.33 72.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -55.7 -52.92 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.902 HD13 HD21 ' A' ' 140' ' ' LEU . 13.9 mt -72.75 -13.31 61.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.553 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.9 m-85 -120.2 -7.02 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.3 -51.08 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.442 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 13.2 mm-40 -47.83 -27.6 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.1 -47.33 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.49 -73.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.548 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -134.79 118.89 17.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 62.8 tp -130.68 121.72 26.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -68.94 -42.72 76.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 155.04 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.61 105.49 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.52 124.1 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.564 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.7 p -82.48 144.81 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 115' ' ' LEU . 16.5 t0 -83.47 130.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.96 138.8 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -59.13 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.98 25.38 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -120.47 -29.09 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.778 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.91 17.66 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.29 151.1 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -60.44 109.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -50.75 -25.43 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.37 30.68 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.51 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.9 m -162.04 146.25 12.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.564 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 156.37 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -120.69 136.4 54.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.595 ' CG1' HD11 ' A' ' 101' ' ' LEU . 18.4 t -143.39 140.5 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.2 m170 -124.25 125.74 44.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 77' ' ' LEU . 64.4 m-85 -102.96 147.67 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 100' ' ' THR . 3.3 mt-10 -78.18 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -140.59 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -93.52 -40.99 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.74 -53.37 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.401 ' H ' ' CG ' ' A' ' 124' ' ' ARG . 64.8 t0 -56.78 -49.77 74.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.603 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.55 -52.88 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -56.24 -35.49 67.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.58 -75.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.32 -24.14 27.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.684 ' HE3' HD12 ' A' ' 149' ' ' LEU . 2.5 ttp -64.46 -61.65 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -72.81 -12.21 60.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -90.33 -24.49 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.56 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.0 m-30 -108.83 -15.96 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.77 109.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.17 18.08 59.97 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.64 20.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.995 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.93 157.35 60.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -127.87 73.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t0 68.2 17.53 9.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.0 38.04 0.58 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.589 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.28 107.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.5 Cg_endo -69.72 135.32 30.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.6 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -133.57 155.57 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 117.71 22.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.45 137.59 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -126.64 139.63 53.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.684 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.0 tt -78.88 129.33 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 149' ' ' LEU . 70.0 t -128.67 135.69 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.5 126.53 29.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.747 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.782 0.325 . . . . 0.0 110.917 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.54 ' C ' ' O ' ' B' ' 105' ' ' TRP . 87.8 p -25.59 111.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -136.7 73.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.6 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.49 149.2 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -24.2 -86.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.799 0.333 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.43 -178.02 26.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.64 159.03 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.21 147.28 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 147' ' ' ILE . 2.7 tp -130.83 106.37 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -94.7 111.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.748 HG12 HD21 ' A' ' 82' ' ' LEU . 6.1 t -92.6 140.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 m -133.04 171.91 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.41 45.34 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.748 HD21 HG12 ' A' ' 79' ' ' VAL . 4.2 mm? -84.26 179.76 7.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.89 174.85 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.44 13.82 12.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -110.45 -10.28 22.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.811 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -101.07 120.41 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -101.54 153.88 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.64 -40.13 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.73 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.22 -42.5 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.811 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.5 mm -71.21 -36.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.612 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.1 tp60 -58.53 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.55 -33.02 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.992 HD13 HD21 ' A' ' 140' ' ' LEU . 16.0 mt -76.96 -12.14 59.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.563 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.7 m-85 -119.93 -8.59 9.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.556 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -101.84 -49.4 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 15.4 mm-40 -47.28 -28.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -53.37 -40.79 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.84 -75.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.49 121.88 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.191 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 104' ' ' ALA . 58.7 tp -132.64 118.95 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.1 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.22 142.4 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -134.3 102.93 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 121.48 23.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.5 p -81.87 143.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.6 t0 -79.31 129.56 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.75 133.46 55.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -175.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -93.22 34.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -128.36 -36.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.24 31.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -152.34 156.93 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 110.13 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.89 -25.28 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.969 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . 0.672 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 125.56 32.19 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -161.99 146.96 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 82' ' ' LEU . . . -135.29 152.01 51.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -119.59 133.47 55.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 101' ' ' LEU . 11.7 t -143.46 143.77 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.684 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.8 m170 -126.64 133.76 50.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 77' ' ' LEU . 56.5 m-85 -113.72 153.54 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -88.7 -14.1 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 156.94 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.856 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -78.61 -36.8 43.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.03 62.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -66.31 -44.4 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.94 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.44 -34.05 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.452 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.3 OUTLIER -58.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.613 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.78 -23.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.513 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.0 ttp -62.02 -60.71 3.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -72.98 -17.66 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -85.35 -20.51 29.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.512 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.2 m-30 -113.08 -14.35 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 111.006 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.82 110.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.8 16.64 52.32 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -99.54 143.6 26.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.16 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.3 Cg_endo -69.86 157.13 61.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.55 81.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.5 t70 73.91 6.58 4.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.55 33.37 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.418 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -162.86 115.11 1.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.77 137.88 36.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.648 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.55 155.2 50.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.32 121.62 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.599 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -94.25 136.17 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -123.8 137.99 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.513 HD13 ' CE ' ' A' ' 132' ' ' MET . 14.1 tp -81.41 126.35 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.93 135.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.15 127.44 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.784 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.737 0.304 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.509 ' C ' ' O ' ' B' ' 105' ' ' TRP . 4.8 t -28.71 112.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -145.5 77.93 1.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.684 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -131.11 151.98 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.27 -86.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.582 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.163 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.523 -0.061 0 CA-C-O 120.801 0.334 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.47 174.98 22.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.83 16.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -94.81 152.55 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.8 tp -139.22 108.9 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.749 HD23 ' CG2' ' A' ' 150' ' ' VAL . 0.5 OUTLIER -97.69 134.77 40.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.797 HG12 HD21 ' A' ' 82' ' ' LEU . 3.5 t -108.1 132.79 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.29 166.5 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.2 t30 60.87 53.34 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -94.97 -178.98 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.82 169.85 17.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.51 0.31 47.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.19 -11.76 77.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.698 HG13 HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -98.39 164.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 111.132 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 m -135.13 147.55 49.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -56.76 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.74 54.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.1 mm -72.17 -36.5 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.645 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -55.7 -52.67 63.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.84 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.0 -35.87 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 140' ' ' LEU . 14.4 mt -71.88 -11.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.6 m-85 -122.53 -5.19 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.92 -51.04 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.479 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 18.5 mm-40 -49.88 -25.12 2.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -56.13 -31.63 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.0 -82.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -127.18 119.01 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 104' ' ' ALA . 63.9 tp -129.03 117.69 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -41.49 87.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.69 153.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -147.29 109.26 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.48 126.63 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.659 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.6 p -86.54 144.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HB3' HD21 ' A' ' 115' ' ' LEU . 2.2 m-20 -77.4 123.75 26.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -112.84 151.01 30.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.79 -178.35 4.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -88.98 49.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -42.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.63 37.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -152.0 140.46 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 t -61.12 115.75 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -53.52 -26.56 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.15 29.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.574 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.43 ' HA ' HD23 ' A' ' 82' ' ' LEU . 4.4 m -161.72 146.96 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 160.82 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -127.72 137.36 52.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 101' ' ' LEU . 6.8 t -143.38 143.8 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.239 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.665 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.9 m170 -125.02 126.77 45.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.54 149.66 26.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.61 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.0 mt-10 -79.12 -16.13 57.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.622 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 5.8 ptt180 -143.15 176.77 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -92.51 -30.81 15.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.622 ' HB3' ' HE ' ' A' ' 124' ' ' ARG . . . -51.27 -52.42 45.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 4.3 p30 -67.56 -34.07 76.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.16 -60.17 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.442 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.5 OUTLIER -59.68 -31.85 69.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.442 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.1 mmtt -59.87 -73.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -60.86 -23.78 65.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.461 ' HA ' HG21 ' A' ' 147' ' ' ILE . 7.8 ttp -63.28 -56.49 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -19.07 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.17 -24.57 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.537 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -111.31 -8.59 14.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 108.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.69 15.32 47.19 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.44 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -94.21 146.4 31.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.538 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 54.0 Cg_endo -69.83 158.82 55.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.888 HD22 HD13 ' B' ' 108' ' ' LEU . 1.1 tm? -140.69 86.93 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.1 t0 75.82 5.78 3.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.92 29.58 1.23 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 120.82 1.97 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.79 141.52 45.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.31 155.57 46.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.32 123.53 40.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.61 135.5 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -127.83 134.47 49.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD12 ' A' ' 77' ' ' LEU . 11.1 tp -74.25 132.68 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.749 ' CG2' HD23 ' A' ' 78' ' ' LEU . 45.0 t -127.06 135.77 62.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.32 104.69 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -25.91 113.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -143.86 65.5 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.888 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -118.8 149.69 41.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -34.25 -83.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.769 0.318 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.99 -178.59 19.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.16 158.94 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -95.08 155.9 16.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 149' ' ' LEU . 2.8 tp -139.43 105.21 5.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.0 tp -93.82 116.5 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -97.67 134.3 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.414 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -127.89 170.76 12.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 61.98 47.79 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.915 HD12 HG21 ' A' ' 86' ' ' VAL . 4.3 mm? -89.78 179.58 5.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -124.59 175.05 7.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.16 11.34 10.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.28 -42.34 2.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.915 HG21 HD12 ' A' ' 82' ' ' LEU . 1.2 m -63.94 128.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 t -109.72 155.6 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -57.27 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.22 62.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.12 -45.95 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.697 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.49 -38.7 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.608 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 13.3 tp60 -53.52 -55.23 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -69.45 -40.37 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.948 HD13 HD21 ' A' ' 140' ' ' LEU . 20.0 mt -67.29 -11.8 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.1 m-85 -125.67 0.24 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -103.74 -52.01 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.491 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 31.4 mm-40 -49.9 -24.67 2.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -55.32 -27.67 48.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.98 -80.52 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.74 122.67 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 0.0 111.111 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.741 HD11 ' CG2' ' A' ' 120' ' ' VAL . 40.7 tp -134.76 119.39 18.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -46.66 77.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.15 153.51 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -144.36 105.05 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.17 121.02 24.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.75 144.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.36 125.97 30.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.4 139.28 51.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -173.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -94.13 19.03 9.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -117.77 -27.63 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.48 23.75 2.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -136.85 140.16 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.62 114.43 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -28.74 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.92 31.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.3 m -161.11 146.33 14.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.066 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.86 159.74 40.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.51 128.0 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.741 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.32 141.29 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -115.38 139.46 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 77' ' ' LEU . 36.3 m-85 -111.51 153.6 25.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.46 -13.41 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -142.13 172.58 12.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -91.91 -36.7 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.0 -49.01 61.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -44.19 85.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -55.03 36.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.35 -34.17 73.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.461 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 20.0 mmtt -59.87 -73.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -58.15 -26.49 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.427 ' HA ' HG21 ' A' ' 147' ' ' ILE . 12.2 ttp -62.1 -56.5 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -15.21 60.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -89.91 -17.01 28.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.538 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.7 m-85 -117.22 -15.35 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -53.38 110.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.47 19.73 58.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.422 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.442 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -105.11 145.23 30.35 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.587 0.708 . . . . 0.0 111.085 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.585 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.7 Cg_endo -69.85 157.5 60.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.948 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -134.76 81.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 73.07 7.62 5.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.78 33.91 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.57 115.32 1.03 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.816 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.98 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.245 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.484 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -137.94 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 120.44 25.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.538 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.6 138.86 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -133.17 117.38 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.38 136.18 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.94 135.86 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.27 104.66 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.788 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.649 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.649 ' C ' ' O ' ' B' ' 105' ' ' TRP . 45.4 m -12.69 108.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -114.42 17.68 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -87.52 145.05 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.47 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -50.91 -88.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.613 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.83 0.347 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.33 -175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' ' HE ' ' A' ' 125' ' ' ARG . . . -173.94 172.26 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.12 150.78 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.709 HD13 ' HB1' ' A' ' 128' ' ' ALA . 3.9 tp -133.21 110.56 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.6 tp -97.91 117.69 32.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.827 HG12 HD21 ' A' ' 82' ' ' LEU . 7.8 t -101.58 119.92 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.9 OUTLIER -109.45 168.33 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.4 t30 60.31 56.64 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.827 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -95.67 179.53 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.45 171.44 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 10.94 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.9 -39.02 1.92 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.4 m -62.85 120.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.4 p -100.79 152.26 20.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.67 -45.62 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.17 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -53.32 -42.68 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.9 mm -69.76 -39.04 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -58.38 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.823 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.73 -35.44 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.118 HD13 HD21 ' A' ' 140' ' ' LEU . 32.9 mt -78.58 -11.51 59.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.4 m-85 -120.33 1.25 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -110.41 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 57.9 mm-40 -45.35 -31.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 24.1 m-85 -53.62 -55.35 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.8 -67.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.426 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.72 147.96 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 104' ' ' ALA . 2.7 tt -144.68 108.97 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -62.45 -49.89 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 119.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -117.67 99.07 6.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.71 126.08 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.1 p -85.44 144.5 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 115' ' ' LEU . 1.9 m-20 -76.38 131.15 38.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.791 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -125.19 131.98 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.77 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -95.55 25.36 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -115.76 -28.97 6.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.34 23.66 2.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.408 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -147.06 155.0 41.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.76 121.97 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -58.86 -25.85 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.01 30.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.7 m -161.99 146.36 12.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.836 0.351 . . . . 0.0 111.039 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.02 150.69 51.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -119.89 134.51 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.28 143.1 26.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -123.02 134.1 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' A' ' 77' ' ' LEU . 35.8 m-85 -112.77 153.22 28.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.8 -10.74 47.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.6 ptp180 -147.97 135.33 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.576 ' HD2' HD21 ' A' ' 149' ' ' LEU . 8.4 tpp85 -61.74 -17.25 55.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.0 -50.66 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -70.15 -42.42 72.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.709 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.46 -55.1 35.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -60.05 -37.15 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.476 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 35.8 mmtt -57.96 -69.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -63.1 -20.48 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.677 ' HE1' HD13 ' A' ' 149' ' ' LEU . 7.5 ttm -63.03 -57.18 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -23.19 59.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.88 -27.86 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.54 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.8 m-85 -106.62 -10.16 16.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.28 108.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.61 18.45 37.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.376 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.451 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -98.64 146.62 31.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.451 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.9 Cg_endo -69.87 157.38 60.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.118 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -132.93 79.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.1 t0 70.65 11.46 7.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.73 37.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -169.03 112.99 0.52 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.968 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.68 138.37 37.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.607 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.18 158.0 45.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.59 117.14 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -93.67 136.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -131.89 135.35 46.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.677 HD13 ' HE1' ' A' ' 132' ' ' MET . 13.6 tp -73.81 129.08 37.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.13 135.13 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -63.98 134.69 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.483 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.727 0.298 . . . . 0.0 110.845 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.483 ' C ' ' O ' ' B' ' 105' ' ' TRP . 16.7 p -31.4 107.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -136.98 77.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.671 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.47 150.83 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -22.56 -83.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.492 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.828 0.347 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.45 173.35 28.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.08 156.03 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 6.4 mtmt -100.91 149.81 23.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.5 tp -132.87 103.46 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -91.68 111.92 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 82' ' ' LEU . 11.2 t -95.34 139.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 117' ' ' THR . 42.1 m -130.22 175.63 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.4 t30 63.83 42.08 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.964 HD12 HG21 ' A' ' 86' ' ' VAL . 4.5 mm? -90.87 -176.69 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 2.98 16.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.7 -45.03 5.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.58 144.42 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -115.93 145.24 43.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.25 -49.77 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.56 94.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -53.74 -45.08 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.9 mm -69.95 -39.71 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.0 tt0 -55.54 -56.05 24.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -66.62 -37.75 85.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 HD21 ' A' ' 140' ' ' LEU . 24.8 mt -71.97 -12.45 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.722 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -122.79 0.92 9.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -108.92 -50.77 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.501 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 0.0 OUTLIER -48.31 -26.85 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -43.2 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.26 -76.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.82 122.08 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.807 HD11 ' CG2' ' A' ' 120' ' ' VAL . 42.2 tp -133.46 127.57 33.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -73.85 -47.5 37.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.32 132.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.768 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.65 101.45 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.79 40.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.27 142.0 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' HD21 ' A' ' 115' ' ' LEU . 5.0 m-20 -73.22 131.15 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.21 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -59.47 -172.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -96.79 26.26 4.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -119.82 -30.39 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.55 23.44 2.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -143.0 138.66 30.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.89 116.83 3.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -52.29 -28.73 20.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.4 31.77 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.387 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.0 m -159.89 147.07 16.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.621 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.14 150.2 50.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.51 122.93 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.807 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -142.62 141.93 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -120.79 141.03 50.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.508 ' CE1' HD22 ' A' ' 77' ' ' LEU . 29.7 m-85 -109.72 151.01 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -75.83 -12.39 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -143.48 176.16 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -93.91 -38.75 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.747 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.46 -53.69 27.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -58.28 -46.57 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.687 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.05 -51.38 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -58.79 -34.72 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.47 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.32 -74.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.53 -25.05 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.516 ' HA ' HG21 ' A' ' 147' ' ' ILE . 9.4 ttp -64.48 -56.37 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -15.29 61.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -89.57 -22.22 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.551 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 20.8 m-85 -112.49 -7.75 13.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -53.82 108.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.81 17.2 41.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -96.37 146.73 31.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.4 Cg_endo -69.79 156.93 62.0 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.461 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 1.075 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -136.16 85.22 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.5 t0 73.0 7.94 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.94 34.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.1 117.89 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.54 35.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -135.25 153.97 51.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.16 118.31 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.662 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.98 132.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -126.11 135.3 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.1 135.51 38.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 65.9 t -126.68 135.39 63.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.05 108.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.828 -179.739 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.501 ' CZ2' ' HB2' ' A' ' 97' ' ' GLU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.775 0.321 . . . . 0.0 110.882 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.497 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -30.02 108.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -139.97 73.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.696 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.22 148.59 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -33.14 -83.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.569 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.746 0.308 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.82 -175.47 21.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.42 174.54 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.87 146.09 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.7 tp -132.34 109.09 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.9 tp -97.24 116.82 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.712 HG12 HD21 ' A' ' 82' ' ' LEU . 1.8 t -93.32 130.98 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 m -123.71 165.9 16.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.8 t30 62.65 47.6 4.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.739 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -89.43 179.82 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -119.8 173.45 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.45 12.51 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.25 -39.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.795 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.1 m -63.54 121.62 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -103.73 155.21 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.751 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.44 -36.97 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.94 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.69 -43.13 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.795 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -73.1 -40.08 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.21 -48.15 74.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.45 -39.44 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD21 ' A' ' 140' ' ' LEU . 17.9 mt -71.41 -9.55 58.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -122.49 -6.43 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -102.65 -52.46 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.436 ' HB3' ' NE1' ' B' ' 105' ' ' TRP . 50.2 mm-40 -48.68 -25.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.5 m-85 -52.2 -52.63 51.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.34 -72.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.19 115.87 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.831 HD11 ' CG2' ' A' ' 120' ' ' VAL . 30.6 tp -121.02 126.44 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -47.57 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -179.23 124.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -117.34 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . . . -146.64 121.62 10.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.9 p -83.03 145.04 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.13 129.49 34.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -119.81 138.23 53.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -174.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.957 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 27.45 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -118.14 -29.56 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.24 27.55 1.64 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -152.31 157.98 42.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.35 124.6 23.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.81 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.2 30.79 0.83 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.6 m -160.02 146.83 16.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.89 157.8 43.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -133.96 124.52 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.831 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -143.23 142.68 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -114.86 140.89 48.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -112.75 155.74 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.08 -13.96 32.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -144.4 145.14 31.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -66.3 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.83 -48.01 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.21 -47.51 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.99 -55.79 20.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -61.16 -34.95 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.467 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 0.8 OUTLIER -57.17 -71.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.626 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -61.97 -24.08 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.439 ' HA ' HG21 ' A' ' 147' ' ' ILE . 8.5 ttp -60.39 -63.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -68.83 -23.94 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 -78.31 -22.77 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.557 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-30 -113.3 -0.27 14.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -65.73 109.71 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.64 17.15 48.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.426 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.5 OUTLIER -100.71 141.9 23.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.653 0.739 . . . . 0.0 111.087 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.78 155.79 64.96 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.738 2.292 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.874 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -126.72 74.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 69.59 14.52 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.95 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.11 109.73 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.237 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.671 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -135.21 158.94 43.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.57 120.33 20.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.24 139.22 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -127.73 138.26 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 77' ' ' LEU . 16.9 tp -80.0 127.24 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.52 136.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.04 130.72 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 -179.809 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.751 0.31 . . . . 0.0 110.939 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.516 ' C ' ' O ' ' B' ' 105' ' ' TRP . 1.4 t -28.48 111.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 23.89 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.64 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.95 148.94 24.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -37.83 -83.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.8 0.333 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.97 177.99 23.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.574 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.54 166.54 32.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.911 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -132.94 106.74 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -96.05 114.48 26.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -94.62 131.83 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 m -124.22 168.47 12.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.1 t30 61.53 47.76 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 79' ' ' VAL . 4.4 mm? -90.8 175.38 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -126.79 161.21 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -5.26 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -18.15 72.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -99.11 147.06 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -121.92 158.4 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 -56.39 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.91 58.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.57 -43.29 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' CG1' ' A' ' 86' ' ' VAL . 6.5 mm -71.78 -40.08 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.782 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 11.5 mt-30 -53.28 -54.9 29.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.95 -40.21 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.848 HD13 HD21 ' A' ' 140' ' ' LEU . 18.8 mt -70.06 -10.5 58.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.714 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -125.52 1.36 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.0 -47.88 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 38.4 mm-40 -49.58 -26.58 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 8.4 m-85 -54.2 -29.51 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.32 -80.65 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.97 122.27 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 120' ' ' VAL . 50.2 tp -133.62 109.17 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.93 -48.67 75.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 158.57 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.21 105.59 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.99 122.24 21.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.1 p -84.62 144.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.01 121.04 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.77 158.97 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.27 14.66 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 64.22 24.77 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.84 3.29 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.78 23.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -152.24 112.68 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 t -50.97 122.14 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -25.94 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.51 30.18 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.8 m -161.67 146.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.17 159.05 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.063 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -131.67 127.46 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.98 142.22 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -117.43 139.13 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.528 ' CE1' HD22 ' A' ' 77' ' ' LEU . 46.8 m-85 -112.24 153.08 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.03 -15.67 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 4.3 ptm180 -144.41 140.92 29.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -65.01 -20.36 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.54 -49.56 74.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 -43.73 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.911 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.85 -50.85 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -66.04 -35.19 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 40.3 mmtt -56.69 -64.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.605 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -68.43 -26.38 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 129' ' ' LEU . 11.7 ttp -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -78.92 -29.16 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.21 -18.64 60.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB2' HD13 ' A' ' 147' ' ' ILE . 20.8 m-85 -115.42 -10.88 11.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 108.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.7 17.01 40.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.54 140.89 22.82 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.78 157.27 60.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.848 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -129.07 74.4 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t0 71.45 14.04 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.03 32.74 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 0.0 OUTLIER -162.76 109.4 1.06 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 110.836 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.68 135.98 32.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.544 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.63 159.09 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.45 121.83 24.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ILE . . . . . 0.528 HD13 ' HB2' ' A' ' 135' ' ' TYR . 1.9 mp -94.4 139.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -128.38 138.33 52.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.8 tp -82.85 131.2 35.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.96 135.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.24 114.36 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 8.5 t -27.71 108.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -134.39 78.97 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . 0.594 HD13 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -134.11 149.64 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.59 -85.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.57 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . 0.512 ' O ' HD11 ' B' ' 108' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.72 0.295 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.17 179.55 7.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.231 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.1 p -169.29 148.03 3.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 9.5 ptp -151.85 137.6 17.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -170.87 136.83 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.191 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.92 132.2 3.37 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.82 112.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -118.55 -178.29 3.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -152.43 150.3 29.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.5 mtp -125.59 169.37 12.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.75 55.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.559 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 -116.75 138.42 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.01 160.11 46.39 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.613 0.721 . . . . 0.0 110.869 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -27.63 26.34 Favored 'Trans proline' 0 C--O 1.23 0.109 0 C-N-CA 122.753 2.302 . . . . 0.0 112.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 56.22 44.46 24.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.3 mtmm -60.61 151.11 29.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -72.48 175.37 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -160.11 114.85 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -126.44 176.75 6.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -157.56 101.54 1.84 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mt -53.67 164.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 41.9 p90 -135.78 151.73 50.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -171.07 164.19 7.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.814 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.4 p -122.09 176.93 5.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 148.39 -168.41 29.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 28.0 p -154.98 146.72 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.827 0.346 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 164.64 175.43 35.42 Favored Glycine 0 C--N 1.33 0.227 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.403 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 173.76 145.43 5.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 139.93 146.65 4.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -165.33 147.85 7.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.934 0.397 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 149.17 44.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.665 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.3 p -89.39 125.0 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.45 -75.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.28 -31.04 3.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.061 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.69 -179.92 26.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.14 160.16 36.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.822 0.344 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -101.4 146.14 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.58 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.7 tp -129.71 110.38 11.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -98.24 110.92 23.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.678 HG12 HD21 ' A' ' 82' ' ' LEU . 4.6 t -93.01 141.84 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.2 m -135.42 173.24 11.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.0 t30 61.65 40.34 13.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.941 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -80.01 -179.74 7.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.52 175.11 8.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.0 12.54 9.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.833 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.416 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -105.18 -39.2 2.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.941 HG21 HD12 ' A' ' 82' ' ' LEU . 2.0 m -63.43 129.34 26.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.844 0.354 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 p -109.86 154.56 22.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -43.33 -51.2 6.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -44.94 88.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -52.56 -47.86 66.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.768 HD11 ' HB ' ' A' ' 86' ' ' VAL . 3.7 mm -69.49 -38.06 76.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.76 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.3 -61.85 2.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.0 tt0 -64.58 -40.94 96.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.09 HD13 HD21 ' A' ' 140' ' ' LEU . 25.8 mt -65.04 -14.41 60.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.2 m-85 -124.56 0.88 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.56 -53.03 2.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.057 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.465 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 8.4 mm-40 -49.67 -25.44 2.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.96 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.0 OUTLIER -53.56 -33.57 55.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.9 -76.08 0.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.1 OUTLIER -128.71 123.28 32.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.806 0.336 . . . . 0.0 111.158 -179.849 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.743 HD11 HG23 ' A' ' 120' ' ' VAL . 60.6 tp -132.05 115.32 15.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.42 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.32 155.1 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.76 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.75 97.35 2.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.05 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.45 123.47 31.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -87.02 142.06 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.18 129.56 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -124.87 130.78 53.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -59.1 -175.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.812 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -94.98 23.74 5.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 9.6 t -117.52 -24.01 7.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.71 24.05 4.47 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.424 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -143.87 142.23 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.74 115.1 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.88 -28.92 25.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.77 33.31 0.65 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.508 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.2 m -157.85 146.94 19.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 0.0 111.163 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -133.51 154.73 50.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -131.5 125.55 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.743 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.66 140.49 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.583 ' O ' HD12 ' A' ' 101' ' ' LEU . 4.4 m170 -114.38 141.39 47.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.57 ' CE1' HD22 ' A' ' 77' ' ' LEU . 43.4 m-85 -113.0 149.46 33.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.923 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.51 ' HG3' HG22 ' A' ' 100' ' ' THR . 1.4 mt-10 -79.03 -15.71 57.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.665 ' HB2' HG23 ' A' ' 71' ' ' VAL . 8.3 ptm180 -141.24 175.08 9.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -91.57 -35.76 14.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.37 -48.87 55.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -66.58 -42.95 86.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.58 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.46 -60.11 3.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.454 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -59.09 -34.3 71.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.823 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.3 OUTLIER -57.42 -74.37 0.06 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.23 -21.76 62.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.113 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.8 ttm -61.75 -64.2 1.02 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.6 ptmm? -70.59 -20.7 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.681 ' CD ' HG21 ' B' ' 104' ' ' VAL . 21.3 mm100 -79.61 -26.17 41.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.555 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.9 m-85 -110.48 -5.0 15.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.1 108.46 0.41 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.97 17.2 43.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.648 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -96.79 147.23 32.62 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.517 0.675 . . . . 0.0 111.16 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.1 Cg_endo -69.73 157.75 59.37 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.611 2.208 . . . . 0.0 112.355 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.09 HD21 HD13 ' A' ' 94' ' ' LEU . 1.3 tm? -136.93 83.79 2.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 t70 73.62 6.52 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.07 34.43 0.68 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.416 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -164.26 116.93 0.99 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 137.95 36.73 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.301 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.555 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.78 160.23 39.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -129.62 120.99 26.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.618 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.92 137.78 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -125.51 138.52 53.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.504 HD13 ' CE ' ' A' ' 132' ' ' MET . 20.4 tp -81.43 125.99 31.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.5 t -127.29 136.05 61.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.417 ' HB1' ' CB ' ' A' ' 155' ' ' ASP . . . -75.97 107.77 8.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.2 t -67.26 -168.92 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.9 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -74.42 -6.54 48.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.8 pp -117.11 22.02 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.417 ' CB ' ' HB1' ' A' ' 151' ' ' ALA . 0.7 OUTLIER -99.78 40.76 1.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -66.68 177.39 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -137.06 45.76 2.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -110.35 74.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -82.48 167.96 17.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 40.2 m80 -117.94 165.11 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.767 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -106.09 27.63 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -55.69 151.73 10.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 CA-C-O 121.423 0.457 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -17.03 37.92 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.37 104.99 13.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -143.35 145.1 14.65 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 68.0 m -95.57 157.65 15.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.823 HG12 ' HD3' ' A' ' 130' ' ' LYS . 11.6 m -60.58 -178.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.141 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.606 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -93.29 -18.93 21.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.606 ' C ' ' O ' ' B' ' 105' ' ' TRP . 62.4 m -18.48 109.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.2 65.19 1.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.608 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -133.11 149.11 52.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.475 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -45.23 -90.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.608 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -67.26 115.27 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.52 115.57 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -166.1 67.23 1.06 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.658 0.742 . . . . 0.0 110.833 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . 0.535 ' HD3' HG21 ' A' ' 138' ' ' VAL . 54.0 Cg_endo -69.78 172.09 13.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -140.79 94.22 2.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 29.8 p -51.81 164.57 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.5 m -140.56 160.84 57.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.884 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 175.18 8.38 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.748 2.298 . . . . 0.0 112.323 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -145.28 150.11 36.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.6 mtp85 -126.27 119.65 27.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.866 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -149.15 106.89 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.65 148.84 20.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.471 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.49 2.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.412 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.527 ' HG2' HG22 ' B' ' 124' ' ' VAL . 0.0 OUTLIER -162.01 132.86 5.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . 0.527 HG22 ' HG2' ' B' ' 123' ' ' LYS . 28.7 m 35.18 46.63 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.13 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.99 172.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.38 146.73 43.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 29.5 tp -109.73 109.8 20.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -51.7 156.86 2.13 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.572 0.701 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.73 23.62 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.729 2.286 . . . . 0.0 112.309 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 167.81 23.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.677 2.252 . . . . 0.0 112.265 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 140.16 42.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.757 2.304 . . . . 0.0 112.323 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 7.1 t -115.78 153.26 31.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -104.3 129.56 52.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -162.56 169.0 20.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.078 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.96 71.09 1.38 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.56 0.695 . . . . 0.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.18 34.67 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.628 2.219 . . . . 0.0 112.352 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -86.25 131.58 34.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.4 mmm . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.761 0.315 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 55.54 49.1 17.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.1 m -74.15 165.58 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -153.89 179.35 8.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.1 p -138.79 -179.48 5.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.137 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.57 -165.3 11.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.422 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.93 -151.87 5.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.461 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -139.88 168.97 18.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.78 0.324 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -140.21 166.84 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.2 ttm -163.08 168.23 21.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 178.46 72.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.453 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -111.92 147.33 36.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.12 160.68 25.68 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.618 0.723 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -37.4 9.23 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.733 2.289 . . . . 0.0 112.336 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -172.17 110.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.36 -27.29 11.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -94.04 174.8 6.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.96 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -137.43 -173.55 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -143.33 -176.41 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -160.64 124.16 3.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mt -56.98 168.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.995 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -142.37 175.48 9.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -67.74 -175.12 0.5 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.7 t -162.12 145.9 12.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.808 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -133.34 -173.98 13.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.5 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 32.4 m -147.89 169.33 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -168.64 -155.55 9.72 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.414 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' HA2' HD13 ' A' ' 129' ' ' LEU . . . 147.99 155.08 6.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 133.28 159.43 9.09 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.543 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -63.79 -174.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 142.73 -11.29 2.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.9 p -56.32 142.82 10.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.79 0.328 . . . . 0.0 111.166 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.19 -79.67 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t -121.9 -22.81 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.0 173.09 21.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.87 159.7 36.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.86 0.362 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.71 150.09 22.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.97 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.656 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.97 112.44 10.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.4 tp -99.19 120.05 38.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.724 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -98.4 126.16 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.213 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.78 167.03 11.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.7 t30 61.23 53.49 3.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 86' ' ' VAL . 4.0 mm? -94.15 179.02 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.71 172.0 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -84.02 9.99 11.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.828 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -102.2 -40.88 2.53 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.77 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.9 OUTLIER -64.08 119.55 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 111.17 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.6 m -98.88 148.61 23.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.7 -40.55 4.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.81 -50.5 72.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -53.52 -44.03 68.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.77 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.2 mm -71.03 -35.49 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.686 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 12.4 tp60 -57.91 -51.42 69.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.975 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.74 -34.43 67.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.007 HD13 HD21 ' A' ' 140' ' ' LEU . 15.2 mt -73.71 -13.39 60.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.569 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.6 m-85 -119.74 -7.17 10.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.532 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.99 -49.58 4.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.457 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 48.9 mm-40 -49.46 -26.33 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -54.88 -30.22 57.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 161.02 -78.84 0.16 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.437 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.619 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -130.39 121.63 26.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.772 0.32 . . . . 0.0 111.091 -179.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.715 HD21 ' HB2' ' A' ' 104' ' ' ALA . 64.3 tp -134.14 120.45 20.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -66.66 -42.68 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.04 155.91 2.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -151.83 101.5 2.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -133.55 126.15 30.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.549 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.4 p -84.09 142.96 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.508 ' HB3' HD21 ' A' ' 115' ' ' LEU . 6.3 m-20 -75.52 130.48 38.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.409 ' HA ' ' HA ' ' A' ' 114' ' ' SER . 2.6 m-85 -123.17 137.6 54.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.39 -174.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -93.36 18.69 9.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.4 m -116.9 -25.64 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 117.66 23.49 3.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 20.6 ptt-85 -136.37 138.62 41.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 108' ' ' TYR . 1.4 t -60.07 115.47 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.508 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.33 -28.83 13.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.936 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.37 29.4 0.92 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.509 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 6.4 m -161.32 146.24 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.749 0.309 . . . . 0.0 111.123 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.549 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -132.55 157.08 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -122.18 135.98 54.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.612 ' CG1' HD11 ' A' ' 101' ' ' LEU . 61.8 t -143.23 142.32 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.23 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.622 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.8 m170 -125.59 126.86 45.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 77' ' ' LEU . 55.6 m-85 -105.82 149.58 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.619 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.7 mt-10 -82.1 -11.91 58.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -142.01 173.15 11.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 14.5 ttt180 -91.91 -36.68 13.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.98 -50.5 58.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.44 -41.89 96.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.5 -59.13 5.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.522 HD12 ' HE3' ' A' ' 133' ' ' LYS . 0.4 OUTLIER -56.8 -33.94 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.762 ' CD ' HG12 ' B' ' 104' ' ' VAL . 53.1 mmtt -61.13 -77.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.32 -23.78 16.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.476 ' HE2' HD13 ' A' ' 149' ' ' LEU . 10.4 ttp -63.7 -63.53 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.522 ' HE3' HD12 ' A' ' 129' ' ' LEU . 13.0 ptpt -65.53 -22.29 66.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.741 ' CD ' HG21 ' B' ' 104' ' ' VAL . 20.0 mm100 -82.71 -24.42 33.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.555 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-85 -111.71 8.08 20.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 38.0 tptt -75.45 109.33 8.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.47 14.61 55.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.379 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.565 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.0 OUTLIER -100.15 146.27 31.66 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.163 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.565 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.74 158.6 56.44 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.691 2.261 . . . . 0.0 112.403 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.007 HD21 HD13 ' A' ' 94' ' ' LEU . 1.1 tm? -136.19 82.49 1.95 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 11.1 t0 74.73 5.86 4.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.46 33.49 0.66 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.58 117.48 1.08 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.415 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.4 Cg_endo -69.7 137.93 36.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.362 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.515 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -138.06 157.64 45.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.74 120.23 24.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.555 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.35 139.27 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.076 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -130.68 136.81 49.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.899 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 77' ' ' LEU . 11.5 tp -75.63 127.58 33.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 93.3 t -127.1 136.4 60.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.692 ' HB1' ' OD2' ' A' ' 155' ' ' ASP . . . -72.91 140.16 47.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.154 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.57 -168.17 1.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.835 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -80.11 -1.68 41.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -113.41 21.27 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.187 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.692 ' OD2' ' HB1' ' A' ' 151' ' ' ALA . 38.2 p30 -86.86 50.53 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.813 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -173.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 49.9 mp0 -124.53 58.04 1.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -145.78 168.96 19.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -118.83 -49.88 2.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -69.38 85.29 0.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -116.21 -26.73 7.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.784 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -66.01 113.85 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 121.393 0.44 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 131.8 21.97 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 17.7 mt -115.06 135.31 54.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.91 91.62 0.65 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.477 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -132.83 124.15 27.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 110.808 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.762 HG12 ' CD ' ' A' ' 130' ' ' LYS . 13.0 m -65.05 144.64 14.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.172 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.556 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -59.79 -19.98 53.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.556 ' C ' ' O ' ' B' ' 105' ' ' TRP . 60.0 p -23.86 110.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -139.22 74.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.611 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.62 149.91 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.417 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -42.13 -89.24 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.442 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.573 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -67.89 115.69 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.499 ' HD2' HG21 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -169.82 110.63 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.8 157.75 23.61 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 166.22 28.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.2 p -135.76 170.97 15.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 5.8 t 57.68 25.85 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 27.7 t -114.46 73.3 2.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.648 0.737 . . . . 0.0 110.868 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 172.71 12.06 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.686 2.257 . . . . 0.0 112.39 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -52.91 143.13 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -74.82 -172.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 30.4 p-80 -103.55 65.97 0.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.76 110.52 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.56 -116.52 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.551 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -163.17 143.01 8.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 95.0 t -123.19 142.84 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 60.32 46.16 10.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.047 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 55.7 ttt180 -62.19 115.96 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.34 128.74 41.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -173.14 72.18 0.39 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.588 0.709 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 167.76 23.46 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.713 2.275 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 167.77 23.54 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.686 2.257 . . . . 0.0 112.368 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 153.5 68.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.681 2.254 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.1 p -141.9 123.27 14.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.65 142.71 50.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.35 38.61 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -169.28 71.17 0.7 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 145.22 56.79 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.727 2.285 . . . . 0.0 112.335 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -97.41 143.77 27.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.883 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.669 0.271 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.95 -175.91 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.5 t -171.16 122.22 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -172.75 157.66 3.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.763 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -165.41 154.27 12.0 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.62 150.96 5.53 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.47 146.0 6.31 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -172.53 146.61 1.75 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.698 0.285 . . . . 0.0 111.006 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -172.29 178.4 2.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -173.49 175.41 3.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 175.26 73.03 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.522 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -101.64 139.3 37.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.65 160.13 37.67 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.649 0.738 . . . . 0.0 110.806 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 -24.92 28.7 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.7 t70 60.32 48.45 7.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -77.56 141.02 39.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.93 176.47 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -142.51 120.85 12.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 35.0 t60 -162.41 157.49 22.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.799 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -165.13 98.43 0.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.32 170.85 0.13 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.82 171.86 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -153.04 155.02 36.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.6 p -127.07 -59.06 1.27 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.799 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.27 168.63 24.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 39.5 m -97.59 -70.28 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.974 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.06 161.35 10.03 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 179.35 160.81 25.72 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.502 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.37 113.72 3.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -151.39 171.18 17.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.905 0.383 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.98 49.49 0.1 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.422 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.453 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.8 p -70.6 143.62 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 111.143 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.42 -79.78 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.549 ' OG1' HD13 ' A' ' 154' ' ' ILE . 0.2 OUTLIER -120.27 -19.5 7.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.661 ' O ' HD11 ' A' ' 154' ' ' ILE . . . 141.82 -177.25 21.47 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.511 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.29 159.03 28.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -98.44 147.9 24.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.9 tp -134.11 110.47 9.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.1 tp -98.0 116.32 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.811 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.756 HG12 HD21 ' A' ' 82' ' ' LEU . 2.5 t -95.56 130.97 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.253 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.416 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.2 m -123.13 168.38 12.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 44.8 t30 60.22 49.45 7.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.756 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -88.77 178.85 6.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -119.06 166.73 12.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.2 6.88 12.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.05 -41.88 2.53 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.406 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.728 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.7 m -63.02 126.55 21.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 81.5 p -108.33 156.25 19.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.38 -55.15 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.18 -48.57 61.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -53.1 -45.73 68.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.83 -38.03 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.6 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -54.61 -54.37 42.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -68.55 -40.97 80.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.92 HD13 HD21 ' A' ' 140' ' ' LEU . 17.8 mt -68.12 -12.51 61.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.674 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.4 m-85 -123.07 -1.58 8.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.73 -52.98 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.449 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 36.1 mm-40 -48.42 -25.9 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -52.53 -43.74 65.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.785 -179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.63 -76.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.452 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 118.36 20.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.731 0.301 . . . . 0.0 111.135 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.763 HD11 HG23 ' A' ' 120' ' ' VAL . 41.3 tp -128.05 124.41 37.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -71.81 -43.67 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.559 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 0.1 OUTLIER -176.61 151.11 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.646 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -143.44 106.01 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.559 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -133.81 119.79 19.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.059 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.681 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.5 p -84.01 144.38 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.566 ' HB3' HD21 ' A' ' 115' ' ' LEU . 15.8 m-20 -79.04 126.36 30.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.819 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -118.36 141.4 48.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.954 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -172.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -93.59 17.99 10.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.807 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.39 -26.66 6.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 118.84 22.79 3.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.387 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -134.61 138.19 44.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.821 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.54 113.41 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.566 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -51.55 -29.84 18.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.944 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.47 32.07 0.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.4 m -161.32 145.97 13.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.839 0.352 . . . . 0.0 111.079 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.681 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.94 158.01 45.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -130.17 126.85 38.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.821 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.763 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.46 141.32 25.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.171 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -117.62 139.13 51.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.518 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -109.34 152.81 24.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -80.77 -17.0 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.453 ' HB2' HG23 ' A' ' 71' ' ' VAL . 0.6 OUTLIER -138.46 173.71 11.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.812 -179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -91.02 -37.86 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.477 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.12 -48.5 61.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.183 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -62.88 -40.41 97.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.425 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.0 -61.23 2.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.8 -32.06 63.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.836 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.3 OUTLIER -60.82 -75.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.04 -24.09 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.45 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.9 ttp -63.92 -53.23 53.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -76.22 -20.28 57.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.763 ' CD ' HG21 ' B' ' 104' ' ' VAL . 20.8 mm100 -85.06 -20.5 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.515 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -113.5 -10.86 13.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -52.04 108.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 57.87 18.73 33.88 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 1.2 t -96.75 143.17 25.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.689 . . . . 0.0 111.124 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.636 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.4 Cg_endo -69.93 158.43 56.76 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.686 2.257 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.92 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -130.45 74.65 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 1.8 t70 69.75 13.83 8.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.5 36.36 0.57 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.544 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.59 109.31 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.651 0.739 . . . . 0.0 110.91 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.3 Cg_endo -69.7 136.64 33.67 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.625 2.216 . . . . 0.0 112.274 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.595 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.95 160.27 38.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.95 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.32 121.45 23.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.515 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.2 138.54 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 -126.42 138.52 53.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.2 tp -83.96 126.36 32.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.27 135.95 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -74.16 122.87 23.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.0 p -81.23 -179.98 7.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.808 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.483 ' O ' HD23 ' A' ' 156' ' ' LEU . 1.0 OUTLIER -63.49 -20.14 65.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.814 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.661 HD11 ' O ' ' A' ' 74' ' ' GLY . 2.7 pp -90.58 -6.02 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.156 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -93.98 40.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 153' ' ' GLN . 3.9 mm? -102.04 177.95 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -95.96 24.73 5.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -130.83 179.76 5.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 63.16 57.33 1.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.796 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -76.31 -177.42 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -108.09 38.56 2.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -135.83 96.79 3.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.777 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 121.393 0.44 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 160.45 49.64 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.357 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.3 mp -121.28 153.86 37.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.82 88.78 1.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.87 129.61 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.961 0.41 . . . . 0.0 110.846 -179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.836 HG12 ' HD3' ' A' ' 130' ' ' LYS . 21.0 m -95.2 146.18 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.49 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -67.21 -19.39 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.966 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.49 ' C ' ' O ' ' B' ' 105' ' ' TRP . 50.1 p -29.64 110.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.85 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.18 56.78 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.588 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -117.36 148.9 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -43.95 -90.9 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.636 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -63.86 116.37 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 111.108 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -173.98 153.07 2.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.91 142.12 15.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.497 0.665 . . . . 0.0 110.936 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 152.03 69.7 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.351 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 60.5 m -63.21 175.12 1.0 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 1.6 t -125.05 105.3 9.08 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.87 160.17 4.65 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.894 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -8.5 23.77 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.252 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -131.38 -68.17 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -55.7 105.69 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -165.11 159.49 17.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -110.9 147.96 17.73 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.523 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -175.83 -153.81 10.82 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -175.8 126.88 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.886 0.374 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 30.1 m -150.61 -179.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.154 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -141.41 124.79 16.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -162.15 155.8 21.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.35 175.69 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.62 157.53 78.09 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.491 0.663 . . . . 0.0 110.958 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.8 23.43 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.604 2.203 . . . . 0.0 112.402 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.8 167.68 23.79 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 131.04 20.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 15.4 t -91.18 164.25 13.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -131.02 154.09 48.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.4 -178.99 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -141.45 157.55 65.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.476 0.655 . . . . 0.0 110.943 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.86 137.68 35.75 Favored 'Trans proline' 0 C--O 1.23 0.125 0 C-N-CA 122.648 2.232 . . . . 0.0 112.293 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.88 152.19 42.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.768 0.318 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -120.71 -39.62 2.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 t -167.36 112.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.6 ptt? -122.55 124.43 43.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 p -150.54 169.17 22.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -142.08 -157.62 7.23 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.52 172.23 28.76 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.569 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -141.71 164.55 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -166.55 157.57 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -171.92 153.2 3.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -159.2 66.37 0.28 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.484 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -107.03 147.46 29.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.36 . . . . 0.0 110.88 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -59.51 160.6 13.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -26.09 27.93 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.727 2.285 . . . . 0.0 112.216 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -171.76 100.88 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.818 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 173.29 4.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.803 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.78 162.92 13.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.27 137.38 32.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -174.13 158.15 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -167.08 115.28 0.82 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 173.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -174.61 147.59 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -174.47 146.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.4 t -146.19 -176.8 5.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 169.99 110.85 0.24 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.9 t -116.29 163.13 16.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.807 0.337 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -112.22 -144.98 9.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.545 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.01 -161.96 16.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.47 -120.36 2.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -179.85 162.71 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 168.1 60.36 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.417 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.457 HG23 ' HB2' ' A' ' 124' ' ' ARG . 7.7 p -66.21 138.5 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 111.074 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.73 -79.94 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.59 -21.96 7.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.214 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 142.48 -176.74 22.12 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.447 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.81 156.27 22.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.67 147.17 25.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.9 tp -129.86 106.15 8.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -92.91 111.92 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.67 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 1.9 t -91.67 142.44 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.234 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.1 m -136.46 171.05 15.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.0 t30 57.25 46.86 17.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.65 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -86.03 176.52 7.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' A' ' 143' ' ' ARG . 25.5 t0 -113.97 166.71 11.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.51 7.57 14.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.59 -41.61 2.15 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.568 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.781 ' HB ' HD11 ' A' ' 91' ' ' ILE . 2.0 m -63.34 123.89 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 97.2 p -105.34 155.38 19.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -42.5 -41.54 3.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.88 -52.62 64.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -52.91 -43.41 66.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.781 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -70.99 -38.87 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.776 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -54.41 -52.11 62.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -71.3 -37.92 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.967 HD13 HD21 ' A' ' 140' ' ' LEU . 14.3 mt -70.67 -11.92 61.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.585 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.1 m-85 -121.98 -6.41 8.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.531 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.2 -50.92 3.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 28.2 mm-40 -47.82 -27.18 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.593 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.25 -38.28 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 166.72 -77.37 0.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.595 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.74 120.3 26.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.755 0.312 . . . . 0.0 111.168 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' CG1' ' A' ' 120' ' ' VAL . 65.5 tp -131.74 123.53 27.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -71.23 -43.07 68.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.35 158.26 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.22 98.08 2.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -127.16 120.44 28.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.6 p -82.25 143.89 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.193 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 19.6 t0 -78.68 130.39 35.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.789 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.05 130.33 53.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -58.22 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -94.58 27.63 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.794 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 m -118.83 -30.82 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.737 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.14 28.98 1.27 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.6 mtt-85 -153.65 155.02 35.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.6 t -64.99 110.74 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.743 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.5 -25.33 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.654 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.58 35.19 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.0 m -162.14 147.11 12.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.781 0.324 . . . . 0.0 111.119 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.67 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -137.1 155.95 48.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -124.37 132.78 53.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.691 ' CG1' HD11 ' A' ' 101' ' ' LEU . 21.7 t -142.98 142.76 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.9 m170 -124.09 134.09 53.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.751 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.5 m-85 -113.77 150.25 33.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -82.33 -15.07 54.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.457 ' HB2' HG23 ' A' ' 71' ' ' VAL . 0.3 OUTLIER -137.23 172.31 13.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.3 ttm-85 -91.37 -37.74 13.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.431 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.81 -48.93 59.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.056 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -63.24 -41.95 99.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.11 -61.92 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -54.36 -31.98 55.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.939 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.839 ' HD3' HG12 ' B' ' 104' ' ' VAL . 1.5 mmpt? -62.07 -76.2 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.941 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.593 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.02 -22.72 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.187 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.608 ' CE ' HD13 ' A' ' 149' ' ' LEU . 13.2 ttp -65.93 -55.35 17.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -72.93 -19.13 61.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.751 ' CD ' HG21 ' B' ' 104' ' ' VAL . 19.5 mm100 -87.16 -23.15 24.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.787 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.507 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.4 m-30 -110.79 -4.99 15.04 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.72 108.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.87 36.47 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.388 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.668 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -99.58 146.63 32.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.705 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.88 161.95 44.01 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.559 2.173 . . . . 0.0 112.362 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.967 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -136.12 75.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 70.91 14.31 6.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.69 36.85 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.475 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 83' ' ' ASP . 0.0 OUTLIER -168.09 112.0 0.58 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.589 0.709 . . . . 0.0 110.945 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.2 Cg_endo -69.62 138.88 39.32 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.694 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.35 158.02 45.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.811 179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.13 118.83 22.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.507 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.46 138.3 21.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -126.15 138.03 53.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.608 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.9 tp -81.65 129.18 34.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 40.7 t -127.03 132.34 69.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -65.03 103.96 0.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -177.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.818 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -74.01 -7.0 50.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.3 pp -117.12 21.06 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -100.79 40.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.61 177.29 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -101.49 63.68 0.97 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -111.12 146.73 36.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -139.48 137.31 35.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -106.55 159.46 16.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -89.84 -26.85 20.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -68.91 147.83 51.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.75 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 121.391 0.439 . . . . 0.0 112.552 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.06 0.67 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.77 105.3 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.56 104.0 1.06 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 1.1 p -135.41 147.88 49.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.903 0.383 . . . . 0.0 110.815 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.839 HG12 ' HD3' ' A' ' 130' ' ' LYS . 18.5 m -74.58 141.14 16.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.557 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -61.57 -19.15 61.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.958 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.557 ' C ' ' O ' ' B' ' 105' ' ' TRP . 47.4 t -24.44 112.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -134.45 67.67 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.723 HD22 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.96 149.75 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.979 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.515 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -27.91 -84.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.421 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.502 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -106.38 116.8 32.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.778 0.323 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 138' ' ' VAL . 4.3 ppt_? -140.8 13.43 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 65.37 68.16 0.72 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.661 0.743 . . . . 0.0 110.927 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.06 22.57 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.638 2.225 . . . . 0.0 112.43 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 t -145.64 171.38 14.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.942 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 85.9 m -129.57 174.52 9.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.96 160.44 29.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.704 0.764 . . . . 0.0 110.875 -179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -174.75 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -140.73 -172.48 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -166.97 176.5 6.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.834 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -143.37 165.72 26.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -141.0 158.3 26.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.435 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.68 161.19 29.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.424 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.69 150.22 1.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 0.0 110.96 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 85.3 t -149.72 144.06 17.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -149.64 175.27 11.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.38 -177.12 6.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.646 ' C ' HD22 ' B' ' 127' ' ' LEU . 0.0 OUTLIER -170.66 169.34 7.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . 0.553 ' N ' HD22 ' B' ' 127' ' ' LEU . 35.4 tt0 -134.11 137.41 28.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.548 0.689 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 167.82 23.49 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.628 2.219 . . . . 0.0 112.349 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 167.61 23.91 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.793 2.329 . . . . 0.0 112.296 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 157.51 60.27 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.69 2.26 . . . . 0.0 112.406 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 12.1 m -120.11 132.25 55.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.116 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 32.2 tttm -140.86 150.53 43.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -106.63 51.56 0.74 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -153.51 71.94 6.77 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.582 0.706 . . . . 0.0 110.995 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.86 138.67 38.05 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.653 2.235 . . . . 0.0 112.275 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -114.58 145.9 41.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.037 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 6.2 ptp85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.821 -179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.837 0.351 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.39 175.7 12.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -151.7 166.92 29.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.2 tpp -141.35 118.49 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -59.83 -45.99 90.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.46 145.82 0.21 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.537 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 129.51 74.0 0.15 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -144.56 120.15 10.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.783 0.325 . . . . 0.0 110.968 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.6 tp60 -147.73 135.45 20.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.83 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -164.23 148.07 9.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.39 67.01 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.606 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -122.26 147.54 46.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.54 160.05 36.17 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.532 0.682 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.93 -44.21 2.09 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.623 2.215 . . . . 0.0 112.296 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.85 107.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -115.96 52.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -120.02 111.17 17.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -83.31 131.55 35.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.927 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -134.11 154.22 51.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -166.9 99.3 0.55 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.15 169.68 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -128.07 161.56 28.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -154.14 172.94 16.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.4 t -175.79 163.43 2.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 178.5 173.32 43.76 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.8 t -130.08 -69.19 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 -129.26 9.24 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.424 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.59 144.33 13.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.54 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 158.99 123.15 0.7 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.46 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -155.7 159.34 39.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.66 71.12 0.45 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.423 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.3 p -61.15 140.67 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 111.102 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.73 -80.03 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.07 -19.66 7.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.202 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 141.38 -178.16 20.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.28 153.85 20.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.914 0.387 . . . . 0.0 111.16 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.4 mtmt -95.25 149.7 21.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.597 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.6 tp -133.65 109.93 9.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 tp -97.44 112.1 24.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.79 HG12 HD21 ' A' ' 82' ' ' LEU . 6.3 t -93.65 140.0 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.18 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.413 ' HA ' HG23 ' A' ' 117' ' ' THR . 18.2 m -134.18 175.39 9.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.988 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 55.0 t30 59.89 44.73 13.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.79 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -87.55 177.16 7.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.56 173.88 10.18 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.36 8.59 26.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -95.63 -9.34 57.69 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.519 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.65 164.74 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.846 0.355 . . . . 0.0 111.172 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.4 t -135.63 150.66 49.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.39 -57.9 3.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.87 -44.58 59.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -53.45 -44.02 68.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.519 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.7 mm -71.22 -36.13 60.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.641 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -56.55 -52.11 66.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.57 -33.94 67.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.934 HD13 HD21 ' A' ' 140' ' ' LEU . 14.0 mt -73.36 -12.67 60.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.571 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -121.91 -6.55 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.498 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -99.91 -48.33 4.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 17.2 mm-40 -50.41 -25.08 3.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -56.59 -29.76 62.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.51 -81.02 0.16 Allowed Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 119.1 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.145 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 67.9 tp -130.04 119.32 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -65.17 -43.95 90.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.839 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.18 156.47 2.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.686 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -149.53 104.24 3.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.71 122.79 22.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.691 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.6 p -83.69 144.76 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.533 ' HB3' HD21 ' A' ' 115' ' ' LEU . 28.1 m-20 -80.38 123.25 27.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.34 152.05 26.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.99 -168.79 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 61.7 mmt-85 -95.58 29.76 2.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -131.58 -41.69 1.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.733 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 135.22 37.63 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -152.66 142.85 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -59.48 115.85 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.533 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.36 -24.29 43.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.994 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.84 30.37 0.82 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.413 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.5 m -162.0 146.12 12.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.712 0.291 . . . . 0.0 111.13 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.691 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -137.35 155.95 48.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -121.16 135.78 55.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.645 ' CG1' HD11 ' A' ' 101' ' ' LEU . 15.1 t -143.59 143.0 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.637 ' O ' HD12 ' A' ' 101' ' ' LEU . 8.5 m170 -125.53 131.25 52.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.539 ' CE1' HD22 ' A' ' 77' ' ' LEU . 60.7 m-85 -110.1 149.09 30.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.12 -14.0 58.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.511 ' HB2' HG23 ' A' ' 71' ' ' VAL . 10.3 ptp180 -142.09 176.94 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.922 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -92.78 -37.71 12.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.955 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -50.04 55.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.083 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -63.53 -48.12 78.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.597 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -56.12 24.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -57.22 -36.3 70.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.705 ' CD ' HG12 ' B' ' 104' ' ' VAL . 3.5 mmtm -59.35 -72.13 0.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.13 -24.34 62.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 7.9 ttp -63.45 -53.66 48.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.819 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -19.74 58.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.987 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.73 ' CD ' HG21 ' B' ' 104' ' ' VAL . 14.1 mm100 -85.47 -21.19 28.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.4 m-30 -111.6 -13.56 13.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.41 109.27 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.12 18.08 40.12 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.406 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.687 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -98.14 146.1 30.94 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.595 0.712 . . . . 0.0 111.124 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.687 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.6 Cg_endo -69.77 156.34 63.56 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.934 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -136.87 85.06 2.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.2 t0 75.64 5.52 3.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.767 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.75 31.24 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.54 118.82 1.52 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.712 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.8 Cg_endo -69.81 139.23 39.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.594 2.196 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.528 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.37 159.56 41.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.01 122.83 33.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.652 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.96 134.15 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.193 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -121.84 138.87 54.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.412 ' HA ' HD12 ' A' ' 77' ' ' LEU . 22.6 tp -84.81 128.62 34.7 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.0 134.21 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.057 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.31 110.93 4.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.144 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.11 -169.22 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.852 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -78.81 -5.39 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.21 22.97 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -108.36 42.87 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.35 177.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -109.33 54.02 0.67 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.002 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -123.2 165.29 17.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -134.7 -175.3 3.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -100.16 149.54 23.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.851 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -112.47 -26.49 8.67 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -70.31 150.38 46.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 29.2 p80 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 CA-C-O 121.325 0.403 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -12.95 34.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.598 2.199 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.95 151.22 37.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.023 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.29 91.39 0.3 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 8.5 t -146.33 145.83 30.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.73 HG21 ' CD ' ' A' ' 134' ' ' GLN . 14.3 m -62.6 -177.97 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.56 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -96.36 -18.63 19.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.993 179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.56 ' C ' ' O ' ' B' ' 105' ' ' TRP . 81.6 p -24.53 112.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.6 62.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.654 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.48 150.84 48.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.519 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.62 -83.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.523 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.503 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -95.64 125.64 40.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.821 0.343 . . . . 0.0 111.09 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.402 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -172.66 164.4 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 64.1 90.09 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.634 0.73 . . . . 0.0 110.941 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 172.08 13.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -75.3 78.47 2.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 97.4 m -119.37 172.01 7.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.866 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.94 160.24 55.15 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.58 0.705 . . . . 0.0 110.843 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.64 -171.09 0.43 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.712 2.275 . . . . 0.0 112.43 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -127.06 110.18 12.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -157.03 177.59 11.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -58.73 104.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.75 150.45 22.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -75.07 -132.92 0.31 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.41 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.38 168.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.904 0.383 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -131.96 139.4 50.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -102.41 132.09 48.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -82.61 135.06 35.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 7.6 mp -78.67 111.79 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.928 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -132.6 72.13 78.08 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.585 0.707 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.4 ' HA ' ' HD2' ' B' ' 130' ' ' PRO . 53.6 Cg_endo -69.77 112.24 3.03 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.273 . . . . 0.0 112.358 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' B' ' 129' ' ' PRO . 53.8 Cg_endo -69.7 167.81 23.29 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.426 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.88 122.31 8.96 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.755 2.303 . . . . 0.0 112.261 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 9.8 t -91.12 143.57 26.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.239 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -134.9 130.61 36.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -131.84 145.29 51.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -108.26 137.5 19.91 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.602 0.715 . . . . 0.0 110.851 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.8 147.44 62.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.756 2.304 . . . . 0.0 112.267 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.87 151.34 42.0 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 13.1 mmp_? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 -179.855 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.864 0.364 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.24 122.16 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m -91.12 141.01 29.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.883 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -64.99 -59.94 3.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -106.0 139.08 41.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.79 121.3 5.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.502 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.12 115.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.433 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -114.32 171.12 7.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -137.92 160.14 40.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.6 ptt? -141.57 157.68 44.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -167.75 70.68 0.17 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -107.38 147.09 30.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.26 160.06 45.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.659 0.743 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -19.01 36.97 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.842 2.361 . . . . 0.0 112.256 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 56.73 42.14 27.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -89.31 106.46 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 4.1 m0 -132.93 136.99 46.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -111.74 43.55 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -141.54 165.73 26.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -144.53 91.56 2.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mt -56.8 170.41 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.01 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -139.43 -178.51 5.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.79 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -131.51 141.7 49.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.6 m -153.12 170.5 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.28 -170.69 16.96 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 31.4 p -166.99 -177.5 3.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.336 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 170.97 162.72 23.8 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 158.5 158.52 9.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.499 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.67 -141.51 3.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -52.55 164.43 0.34 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 158.38 -21.76 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 HG21 ' HB2' ' A' ' 126' ' ' ALA . 3.5 t -88.45 114.58 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.767 0.318 . . . . 0.0 111.051 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.03 -79.52 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -15.7 7.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 157.43 174.51 27.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.4 155.56 24.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.945 0.402 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 4.3 mtmt -98.86 146.17 26.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.032 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.2 tp -128.34 109.48 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -100.38 109.69 21.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.696 HG22 HG13 ' A' ' 147' ' ' ILE . 5.6 t -91.37 140.31 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 45.7 m -133.05 174.34 10.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t30 61.79 41.85 11.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.655 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -83.77 175.68 9.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -128.68 174.57 9.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.404 ' HB3' ' HB3' ' A' ' 113' ' ' ARG . 0.5 OUTLIER -89.31 13.41 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.441 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -103.4 -6.43 44.55 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.569 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.2 OUTLIER -100.48 164.75 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.322 . . . . 0.0 111.212 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.8 p -138.09 150.07 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.762 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.33 -55.92 4.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.74 -46.6 59.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.079 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -52.9 -44.55 67.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.569 HD11 ' CG1' ' A' ' 86' ' ' VAL . 4.7 mm -71.56 -37.46 63.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.781 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 4.8 mt-30 -53.38 -55.79 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -69.2 -38.71 78.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.86 HD13 HD21 ' A' ' 140' ' ' LEU . 14.6 mt -68.95 -11.54 60.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.977 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.665 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.4 m-85 -125.57 -1.44 7.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.481 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -103.3 -49.99 3.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.477 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.8 mm-40 -48.56 -26.35 2.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.0 m-85 -53.77 -31.63 49.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.81 -78.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.419 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -124.6 119.76 29.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.787 0.327 . . . . 0.0 111.194 -179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.731 HD11 ' CG1' ' A' ' 120' ' ' VAL . 62.2 tp -130.9 111.19 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -56.27 -47.22 79.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.64 153.08 1.38 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.781 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -142.05 113.78 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -145.84 121.01 10.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.0 p -82.15 144.63 9.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.36 125.51 31.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.798 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -110.61 137.18 48.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 51.9 p-10 -59.64 -171.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 ptt85 -93.16 24.03 4.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.0 m -119.01 -29.14 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.74 22.17 3.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' HB3' ' HB3' ' A' ' 84' ' ' PHE . 0.1 OUTLIER -142.11 149.86 40.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -55.37 111.12 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.615 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.3 OUTLIER -53.56 -23.34 10.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.011 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.615 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.3 29.24 1.12 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.2 m -162.42 146.53 11.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.783 0.325 . . . . 0.0 111.172 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.75 152.03 50.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -118.11 134.73 54.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.731 ' CG1' HD11 ' A' ' 101' ' ' LEU . 12.1 t -144.13 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.66 ' O ' HD12 ' A' ' 101' ' ' LEU . 10.5 m170 -124.3 136.06 53.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.593 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.7 m-85 -115.35 148.43 39.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HG3' HG22 ' A' ' 100' ' ' THR . 2.4 mt-10 -79.55 -14.2 59.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.586 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 5.9 ptm180 -146.22 138.58 25.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.85 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.483 ' HE ' HD21 ' A' ' 149' ' ' LEU . 0.1 OUTLIER -62.2 -19.71 63.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.586 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -61.13 -49.79 75.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.094 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.21 -42.07 72.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.032 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.06 -50.88 65.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.418 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -66.12 -34.96 79.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.81 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.827 ' HD3' HG12 ' B' ' 104' ' ' VAL . 2.6 mttt -57.56 -65.92 0.55 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -65.39 -26.87 68.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.654 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.5 ttp -58.94 -58.62 7.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.45 -25.23 60.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.99 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.714 ' CD ' HG21 ' B' ' 104' ' ' VAL . 20.3 mm100 -77.39 -20.3 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.568 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 19.5 m-85 -115.2 -6.33 12.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 108.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.2 14.74 48.58 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.558 HG22 ' H ' ' B' ' 112' ' ' ARG . 1.2 t -91.59 143.15 27.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.569 0.7 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.594 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.1 Cg_endo -69.92 157.52 59.82 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.653 2.235 . . . . 0.0 112.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.86 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -134.11 82.0 1.95 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.463 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.5 m-20 74.03 7.68 4.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.57 30.35 0.91 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.441 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -158.94 116.62 1.67 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.874 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.421 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.68 138.52 38.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.643 2.228 . . . . 0.0 112.31 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.568 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.65 155.59 49.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.857 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -126.74 122.63 35.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.696 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -94.45 138.94 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -127.47 135.74 50.81 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.654 HD13 ' CE ' ' A' ' 132' ' ' MET . 13.5 tp -77.23 133.81 38.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 42.7 t -126.7 135.82 62.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -58.91 123.5 16.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.4 p -78.86 -174.45 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 153' ' ' GLN . 1.5 pm0 -98.72 -5.7 30.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -113.16 15.88 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -108.63 40.4 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 156' ' ' LEU . 4.0 mm? -100.01 177.43 5.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.35 44.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -122.16 117.16 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -158.11 158.99 35.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -95.93 135.76 37.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -114.17 37.91 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -83.79 89.0 7.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 44.4 p-80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.779 -179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 121.347 0.415 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 -24.68 29.39 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.293 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.96 153.73 19.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.05 95.34 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.423 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 45.9 p -154.15 147.13 24.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.827 HG12 ' HD3' ' A' ' 130' ' ' LYS . 13.3 m -59.25 -177.35 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.558 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -96.91 -19.76 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.558 ' C ' ' O ' ' B' ' 105' ' ' TRP . 98.3 p -23.08 112.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 33.4 ttp85 -144.82 77.81 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.693 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.54 148.87 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.95 -82.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.419 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.594 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -78.34 121.2 24.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.767 0.317 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.13 116.46 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.558 ' H ' HG22 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -52.21 154.11 4.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.481 0.657 . . . . 0.0 110.877 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 159.11 54.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.743 2.295 . . . . 0.0 112.284 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.99 156.2 1.28 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 8.0 p -157.42 144.83 18.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 8.8 t -173.35 75.4 0.39 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.696 0.76 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 167.98 22.75 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.718 2.279 . . . . 0.0 112.41 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -138.0 -172.49 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 33.3 ptt180 -57.24 149.82 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -157.91 164.0 37.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.776 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -134.16 128.25 4.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.561 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.77 -170.51 17.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.44 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.96 92.9 3.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 43.0 t -77.51 144.66 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.192 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -127.98 178.43 6.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.25 165.02 17.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 38.0 tp -143.03 134.12 25.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -162.99 157.43 17.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.612 0.72 . . . . 0.0 110.843 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 167.67 23.66 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.774 2.316 . . . . 0.0 112.412 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.81 23.44 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.586 2.191 . . . . 0.0 112.297 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.77 127.6 14.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.627 2.218 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.23 120.92 22.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.4 148.0 52.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.28 126.31 28.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.074 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -118.89 69.07 9.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.462 0.648 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 162.76 40.85 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.74 2.293 . . . . 0.0 112.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -99.31 145.23 27.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.794 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.022 0 CA-C-O 120.892 0.377 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.1 143.54 50.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.5 p -175.64 131.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.0 ttt -169.32 137.27 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 22.6 p -145.63 166.93 24.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.84 134.82 1.95 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.541 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.65 -147.71 10.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.387 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -172.25 155.42 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 110.942 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -154.34 173.87 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 37.4 mtt -150.34 159.29 44.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.39 70.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.66 147.32 44.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -95.25 160.61 30.36 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.623 0.725 . . . . 0.0 110.811 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -26.33 27.35 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 112.318 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 53.89 48.12 22.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -100.43 107.3 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 4.9 m0 -131.7 145.15 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -153.12 -177.6 6.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -152.65 168.92 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -142.14 72.07 1.37 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.766 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 60' ' ' LEU . 3.0 mt -57.15 157.67 5.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.809 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -177.98 168.22 2.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -171.04 176.87 3.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.1 t -166.55 172.99 10.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -179.64 176.24 47.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.486 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 19.0 p -140.35 -173.68 3.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.901 0.381 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.76 -143.78 8.3 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.479 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 136.35 108.2 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.52 -160.99 10.02 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -107.55 -173.67 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.893 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -148.64 -90.79 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.457 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -60.16 143.48 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.722 0.296 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.84 -79.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 t -120.35 -24.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 152.21 176.87 25.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -159.09 160.98 36.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.385 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.411 ' HG2' ' CD2' ' A' ' 121' ' ' HIS . 0.1 OUTLIER -101.37 143.48 31.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.544 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -131.37 113.25 13.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.0 tp -102.08 116.04 31.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.793 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.655 HG12 HD21 ' A' ' 82' ' ' LEU . 1.7 t -90.46 134.13 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 m -126.98 167.81 15.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.4 t30 61.7 43.99 9.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.847 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -84.74 178.17 7.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -118.73 174.11 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -86.88 11.7 12.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.13 -41.08 1.71 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.847 HG21 HD12 ' A' ' 82' ' ' LEU . 2.5 m -63.56 125.13 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.897 0.379 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 m -107.72 156.54 18.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -43.72 -40.09 4.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.6 -50.9 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 -43.82 68.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.692 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -71.79 -40.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.688 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -52.7 -53.32 49.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.893 179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -70.14 -41.66 73.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.805 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.876 HD13 HD21 ' A' ' 140' ' ' LEU . 21.2 mt -68.15 -11.02 58.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.543 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -120.99 -8.52 9.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.507 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.62 -52.75 3.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.102 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 20.9 mm-40 -47.19 -27.61 1.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.611 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.35 -40.64 65.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 170.64 -76.56 0.1 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.29 120.45 24.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.693 0.282 . . . . 0.0 111.182 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.785 HD11 HG23 ' A' ' 120' ' ' VAL . 67.7 tp -131.87 125.53 31.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.989 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.443 ' HB2' ' HB2' ' A' ' 121' ' ' HIS . 5.1 mtmm -70.76 -48.58 53.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.83 133.15 0.11 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.956 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -121.78 106.86 11.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -129.95 119.98 24.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.682 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.0 p -83.63 144.54 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' CB ' HD21 ' A' ' 115' ' ' LEU . 6.1 m-20 -78.92 130.3 35.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -121.86 134.37 54.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.962 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.63 -173.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -94.12 22.0 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.6 m -115.67 -21.91 9.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.2 21.14 6.0 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.9 mmm180 -139.07 152.25 47.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.789 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.34 119.02 10.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -56.99 -26.16 59.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.003 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 124.8 29.49 1.04 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.3 m -161.45 146.1 13.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.682 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.71 157.65 46.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -128.98 131.6 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.785 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.58 140.84 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.621 ' O ' HD12 ' A' ' 101' ' ' LEU . 35.2 m170 -111.26 140.71 45.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.485 ' CE1' HD22 ' A' ' 77' ' ' LEU . 51.5 m-85 -116.79 147.3 42.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.978 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -83.19 -15.15 51.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.18 170.5 15.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.808 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -90.47 -36.2 14.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.07 -49.11 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.035 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -64.02 -42.01 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.983 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -57.47 -60.92 2.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -55.3 -33.32 63.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.768 ' HD3' HG12 ' B' ' 104' ' ' VAL . 1.6 mmpt? -60.9 -74.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.611 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.8 -23.54 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.046 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.574 ' CE ' HD13 ' A' ' 149' ' ' LEU . 11.2 ttp -63.89 -56.02 18.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.1 ptmm? -75.95 -15.77 60.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.059 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.74 ' CD ' HG21 ' B' ' 104' ' ' VAL . 24.2 mm100 -88.5 -20.93 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.531 ' CB ' HD13 ' A' ' 147' ' ' ILE . 20.3 m-30 -112.29 -17.79 12.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.013 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -53.02 110.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.92 15.24 55.32 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.394 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.482 HG22 ' H ' ' B' ' 112' ' ' ARG . 1.0 OUTLIER -99.37 141.65 23.22 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.62 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 53.8 Cg_endo -69.79 159.65 52.62 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.623 2.215 . . . . 0.0 112.377 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.876 HD21 HD13 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -131.41 74.4 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.42 ' H ' ' HB3' ' B' ' 110' ' ' ALA . 0.9 OUTLIER 69.53 13.87 8.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.827 179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.6 36.67 0.55 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.445 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.65 110.64 0.6 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.619 0.724 . . . . 0.0 110.83 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 135.68 31.17 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.628 2.219 . . . . 0.0 112.407 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.635 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.29 158.48 44.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.83 124.36 27.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.809 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.531 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.18 138.71 19.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -123.11 137.29 54.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.004 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.574 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.2 tp -81.89 125.65 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 52.8 t -127.17 135.0 64.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.521 ' HB1' ' CB ' ' A' ' 155' ' ' ASP . . . -68.29 106.18 2.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.2 -176.36 0.07 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.893 0.378 . . . . 0.0 110.759 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.04 -12.15 59.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.4 pp -113.69 22.43 5.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.521 ' CB ' ' HB1' ' A' ' 151' ' ' ALA . 0.6 OUTLIER -102.19 31.91 3.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.89 -179.04 3.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.795 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 58.79 45.4 15.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.847 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -50.68 117.07 2.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -166.28 170.45 13.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -118.04 83.89 2.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.847 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -116.06 33.45 5.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -57.79 170.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.811 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.224 0 CA-C-O 121.481 0.489 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 128.06 15.43 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.583 2.189 . . . . 0.0 112.351 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -108.78 150.58 27.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.33 88.37 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.395 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 2.6 m -151.52 149.04 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.87 0.367 . . . . 0.0 110.836 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.768 HG12 ' HD3' ' A' ' 130' ' ' LYS . 24.0 m -70.16 164.79 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.58 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -81.39 -19.39 42.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.58 ' C ' ' O ' ' B' ' 105' ' ' TRP . 96.2 p -22.71 107.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -126.92 48.13 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.61 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.2 OUTLIER -115.72 148.77 39.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.478 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -46.41 -92.1 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.538 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.62 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -62.59 116.42 5.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.304 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -174.33 110.58 0.15 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.482 ' H ' HG22 ' A' ' 138' ' ' VAL . 0.6 OUTLIER -160.28 69.6 2.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.613 0.72 . . . . 0.0 110.894 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . 0.461 ' HD3' HG21 ' A' ' 138' ' ' VAL . 53.9 Cg_endo -69.73 172.05 13.32 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.327 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 62.8 m -89.63 -73.34 0.52 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 15.2 p -163.17 -175.41 4.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.72 160.64 25.31 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.83 -171.47 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.62 2.214 . . . . 0.0 112.295 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -119.14 145.67 45.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -172.16 129.79 0.6 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -163.9 107.13 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -143.62 139.69 8.99 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 155.99 173.12 24.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -174.97 139.94 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 41.7 t -146.45 147.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.071 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.95 155.22 1.98 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.431 ' C ' HD23 ' B' ' 127' ' ' LEU . 1.6 tmm_? -160.79 108.79 1.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.845 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.431 HD23 ' C ' ' B' ' 126' ' ' ARG . 0.9 OUTLIER -175.36 169.05 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.47 160.5 34.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 167.77 23.39 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.649 2.232 . . . . 0.0 112.317 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 167.75 23.62 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.752 2.302 . . . . 0.0 112.4 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 157.33 60.72 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.27 162.51 30.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -133.99 157.97 44.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -111.24 24.47 12.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 64.51 153.72 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 162.89 40.36 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.634 2.222 . . . . 0.0 112.419 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -83.2 139.95 32.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.947 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.735 0.303 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -162.34 150.65 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.063 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.5 t -115.25 91.49 3.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.9 mmt -98.7 114.39 26.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 m -159.23 134.63 8.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 166.82 142.15 3.36 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.53 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.57 105.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.431 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -142.53 135.05 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.886 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -148.18 140.91 24.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.61 142.9 21.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.08 92.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.539 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -106.98 140.23 40.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -83.12 160.49 60.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.66 -31.63 20.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.744 2.296 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.0 t70 62.37 32.06 17.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.757 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -89.35 82.35 6.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.892 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 5.2 m0 -126.79 129.2 47.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -147.69 159.8 43.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -159.61 167.71 27.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.779 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -163.97 96.34 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.85 168.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -125.95 139.07 53.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -174.69 169.2 3.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 9.0 t -141.04 150.18 42.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 130.46 -162.94 23.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.431 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 23.8 p -154.59 131.63 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 176.98 164.89 31.51 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.367 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 135.73 155.63 7.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.524 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.79 161.19 18.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.566 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -143.69 179.57 7.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.96 18.41 5.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.532 HG23 ' HB2' ' A' ' 124' ' ' ARG . 6.6 p -75.93 134.2 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -144.54 -79.08 0.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -120.17 -22.43 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 144.32 -176.9 23.27 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.12 158.28 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 0.0 111.064 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -101.26 142.62 32.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.98 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.2 tp -126.4 108.81 11.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.16 109.29 21.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.801 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -91.81 141.42 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.175 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.1 m -131.97 171.89 13.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.3 t30 61.7 37.22 16.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.801 HD21 HG12 ' A' ' 79' ' ' VAL . 4.5 mm? -80.43 179.53 7.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.52 164.13 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -75.88 2.1 13.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.91 -36.82 6.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.802 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.0 OUTLIER -70.84 125.96 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 0.0 111.133 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 78.7 p -103.39 154.19 19.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.11 -56.14 3.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.06 -46.51 61.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.063 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -53.26 -47.92 68.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.802 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.0 mm -69.58 -39.9 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.702 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 7.2 mt-30 -52.02 -61.61 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.885 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -63.31 -41.74 98.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.085 HD13 HD21 ' A' ' 140' ' ' LEU . 25.6 mt -64.47 -14.61 57.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.467 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.9 m-85 -125.28 2.33 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -104.3 -53.26 2.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.033 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 25.8 mm-40 -48.98 -25.92 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.651 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.52 -33.0 43.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 159.35 -75.51 0.2 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.539 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 122.67 31.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.734 0.302 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.705 HD11 HG23 ' A' ' 120' ' ' VAL . 37.3 tp -133.7 118.82 18.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.872 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -68.5 -46.59 69.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.588 ' NZ ' ' HB3' ' A' ' 105' ' ' ALA . 1.4 tmtt? -172.26 153.27 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.702 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -147.49 108.41 4.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.06 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.588 ' HB3' ' NZ ' ' A' ' 103' ' ' LYS . . . -141.17 127.71 20.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 118' ' ' ALA . 41.7 t -76.24 144.57 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -79.32 98.51 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -88.75 141.82 28.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 45.3 p-10 -66.63 -167.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.808 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 ptt180 -90.23 18.16 6.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -116.42 -42.69 2.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 131.98 36.38 0.31 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.451 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -154.77 136.36 14.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.818 0.342 . . . . 0.0 110.836 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.4 t -51.49 110.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.801 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.08 -20.8 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.982 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 128.22 33.96 0.56 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.53 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.9 m -160.6 146.59 15.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.701 0.286 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.612 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.53 153.36 51.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.081 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -129.12 124.19 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.705 HG23 HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.15 139.78 26.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -114.57 144.55 43.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 77' ' ' LEU . 31.1 m-85 -116.01 150.25 37.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.04 -18.68 49.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.532 ' HB2' HG23 ' A' ' 71' ' ' VAL . 5.8 ptm180 -138.22 173.74 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 10.4 ttt85 -91.72 -35.71 14.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.2 -50.14 50.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -67.52 -43.48 80.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.472 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.59 -58.26 8.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.06 -33.78 72.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.794 ' HD3' HG12 ' B' ' 104' ' ' VAL . 1.3 mtmt -58.1 -73.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.826 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.651 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -60.01 -25.16 65.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.66 ' HE3' HD12 ' A' ' 149' ' ' LEU . 1.8 ttp -59.96 -63.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -71.78 -19.13 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.689 ' CD ' HG21 ' B' ' 104' ' ' VAL . 16.9 mm100 -81.88 -21.92 37.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.572 ' HE1' HD23 ' B' ' 108' ' ' LEU . 19.8 m-85 -117.43 3.0 12.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.07 108.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.12 16.22 47.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.431 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.65 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -94.85 148.74 35.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.683 0.754 . . . . 0.0 111.163 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.2 Cg_endo -69.76 158.71 56.01 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.704 2.27 . . . . 0.0 112.366 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.085 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -138.71 84.81 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.6 t0 74.17 6.51 4.72 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.02 33.83 0.77 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.462 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.39 118.46 1.13 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.658 0.742 . . . . 0.0 110.911 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.73 139.18 39.69 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.618 2.212 . . . . 0.0 112.331 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.557 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -136.84 154.65 50.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.826 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -123.44 116.02 22.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.668 HG13 HG22 ' A' ' 79' ' ' VAL . 2.4 mp -93.94 125.11 46.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -116.0 139.01 50.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.971 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.66 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.9 tt -77.66 128.59 34.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.478 ' N ' HD23 ' A' ' 149' ' ' LEU . 68.7 t -128.05 135.86 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.177 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 155' ' ' ASP . . . -77.94 124.59 28.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.152 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.62 -168.95 2.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.772 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -72.8 -8.57 56.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -118.61 23.6 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.082 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.442 ' HB3' ' HB1' ' A' ' 151' ' ' ALA . 0.2 OUTLIER -100.61 36.18 1.98 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.929 179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.659 ' C ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -51.03 169.02 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.761 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.541 ' N ' HD22 ' A' ' 156' ' ' LEU . 30.4 mp0 -121.9 93.17 3.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.915 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.419 ' HB2' HD23 ' A' ' 156' ' ' LEU . 3.0 t-80 -148.56 169.63 19.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -139.38 178.22 7.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -115.92 166.11 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 39.9 m-70 -115.93 -26.77 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 19.4 m80 -131.48 177.13 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 73.8 t60 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 121.457 0.476 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -41.15 4.56 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.577 2.185 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 49.3 mt -106.96 126.3 52.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -144.23 134.92 5.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.503 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 74.3 m -91.08 140.94 29.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.811 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.794 HG12 ' HD3' ' A' ' 130' ' ' LYS . 12.4 m -64.68 164.91 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -76.01 -20.82 57.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.512 ' C ' ' O ' ' B' ' 105' ' ' TRP . 51.8 p -28.9 112.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -143.21 80.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.658 HD13 HD22 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -133.15 149.59 52.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.981 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -35.82 -85.12 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.456 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.534 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -82.29 116.08 21.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.084 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -166.13 107.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.44 68.31 10.05 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 171.12 15.06 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.638 2.225 . . . . 0.0 112.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 9.5 m -128.08 108.11 10.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 23.4 t -58.27 151.92 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.761 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.96 160.15 30.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.659 0.743 . . . . 0.0 110.893 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.83 177.0 6.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 0.0 112.218 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -175.37 123.52 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.7 mtt-85 -150.41 179.45 8.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -150.71 164.2 36.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.731 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -86.74 157.77 30.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.545 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 164.52 64.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.402 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -73.77 129.37 37.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.2 148.36 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 54.94 35.49 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.7 tpp85 -61.11 123.23 17.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.39 161.54 30.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -83.08 137.37 43.08 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 167.79 23.34 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.585 2.19 . . . . 0.0 112.374 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.86 167.8 23.52 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.522 2.148 . . . . 0.0 112.448 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 129.84 18.35 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.719 2.279 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 14.6 t -99.53 154.29 18.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.75 123.27 24.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.97 163.9 12.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.055 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -54.99 160.29 3.14 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 143.94 52.34 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -119.72 146.29 45.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 54.9 mmm-85 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.6 tpp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.6 149.4 31.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.075 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.7 p -156.5 118.1 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.83 161.49 31.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -111.08 -65.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.73 161.64 37.02 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.394 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 168.38 152.86 7.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -149.57 171.81 16.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -174.35 154.48 2.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.25 175.94 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 177.31 127.62 1.07 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.493 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.18 144.51 32.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.347 . . . . 0.0 110.933 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -54.28 153.94 8.96 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.7 0.762 . . . . 0.0 110.854 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -11.44 30.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.746 2.298 . . . . 0.0 112.334 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -87.4 53.27 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.0 mmtt -67.88 -74.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -136.26 179.62 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.98 151.95 24.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -161.14 162.12 31.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.31 115.51 1.28 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 159.99 1.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -176.99 -179.81 0.95 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 54.7 56.33 6.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.5 m -120.97 153.71 36.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 172.11 165.77 29.75 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.6 p -172.92 -177.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.92 175.1 46.48 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.542 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 178.43 -176.11 47.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.68 -69.62 1.38 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -56.02 166.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.973 0.416 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.48 -82.25 1.45 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.481 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.558 HG23 ' HB2' ' A' ' 124' ' ' ARG . 7.4 p -90.13 131.92 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 111.174 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -142.81 -79.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.88 -22.38 6.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.7 -173.62 24.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -164.55 156.47 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.915 0.388 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.61 146.69 24.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.56 HD22 ' CE1' ' A' ' 122' ' ' PHE . 1.5 tp -129.21 107.2 9.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 tp -94.83 111.23 23.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.722 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -94.54 137.31 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 m -130.48 170.34 14.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.4 t30 60.71 48.23 7.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.822 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -87.21 -179.46 6.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.85 173.03 8.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.12 10.93 12.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -104.69 -39.86 2.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.822 HG21 HD12 ' A' ' 82' ' ' LEU . 1.6 m -64.18 127.4 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.889 0.376 . . . . 0.0 111.137 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 11.8 p -106.11 152.2 23.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.61 -58.81 1.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.68 -45.11 63.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -53.42 -45.89 69.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.79 HD11 ' HB ' ' A' ' 86' ' ' VAL . 6.7 mm -68.1 -37.86 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.7 OUTLIER -56.73 -51.73 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -68.16 -37.0 80.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.042 HD13 HD21 ' A' ' 140' ' ' LEU . 29.3 mt -75.99 -10.03 59.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' C ' HD12 ' A' ' 101' ' ' LEU . 7.2 m-85 -123.8 0.96 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -109.25 -47.27 3.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 27.2 mm-40 -46.97 -28.36 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 4.6 m-85 -55.43 -45.99 76.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.917 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.97 -65.19 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 152.58 46.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 111.126 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.692 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -151.7 111.12 3.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.5 mtpt -64.89 -50.4 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.536 ' HE3' ' HB3' ' A' ' 105' ' ' ALA . 0.2 OUTLIER -169.09 117.97 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.987 179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.692 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -114.8 102.79 10.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.536 ' HB3' ' HE3' ' A' ' 103' ' ' LYS . . . -131.98 122.9 26.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.81 144.61 10.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.68 ' HB2' HD11 ' A' ' 115' ' ' LEU . 28.9 m-20 -76.98 129.11 35.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -121.46 129.16 52.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -174.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -94.78 26.64 3.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.25 -27.66 6.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.84 19.58 3.64 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -143.69 161.81 37.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.931 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.29 112.26 5.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -52.03 -23.92 5.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.639 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 122.89 36.41 0.67 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.9 m -161.8 147.22 13.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.805 0.336 . . . . 0.0 111.059 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.719 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.99 149.38 52.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.136 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -128.32 121.28 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.799 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.444 HG23 HD21 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -140.52 143.98 28.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.1 m170 -120.3 139.82 52.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.56 ' CE1' HD22 ' A' ' 77' ' ' LEU . 17.6 m-85 -110.72 154.0 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.978 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -84.83 -10.66 56.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.558 ' HB2' HG23 ' A' ' 71' ' ' VAL . 10.4 ptp180 -143.7 174.57 10.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.905 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.29 -37.46 12.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.448 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.31 -51.25 46.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -62.95 -44.87 94.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -56.88 -59.35 5.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -53.89 -35.48 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.728 ' CD ' HG12 ' B' ' 104' ' ' VAL . 19.1 mmtt -61.17 -76.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.824 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.616 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -55.53 -24.42 31.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.705 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.8 ttp -62.59 -63.47 1.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.43 ' HE3' HD12 ' A' ' 129' ' ' LEU . 12.4 ptpt -71.04 -13.53 62.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.631 ' CD ' HG21 ' B' ' 104' ' ' VAL . 25.6 mm100 -89.49 -20.86 23.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.543 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.8 m-30 -112.64 -13.98 13.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -52.57 110.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.89 18.33 56.77 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.42 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.66 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -103.24 148.03 35.06 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.697 0.761 . . . . 0.0 111.089 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.66 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.3 Cg_endo -69.93 158.67 55.96 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.653 2.235 . . . . 0.0 112.38 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.042 HD21 HD13 ' A' ' 94' ' ' LEU . 1.4 tm? -135.94 80.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.6 t0 74.39 6.34 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 127.12 33.62 0.62 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -164.31 116.7 0.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.5 0.667 . . . . 0.0 110.963 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.77 139.4 40.08 Favored 'Trans proline' 0 C--N 1.34 0.098 0 C-N-CA 122.685 2.257 . . . . 0.0 112.201 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.543 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.81 162.42 35.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -130.16 124.53 32.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.543 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -98.36 133.86 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -123.65 136.97 54.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.705 HD13 ' CE ' ' A' ' 132' ' ' MET . 12.4 tp -78.89 126.82 31.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.03 136.02 61.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.015 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -73.99 127.85 33.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.38 -169.05 2.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.784 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -76.71 -4.9 45.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.5 pp -116.61 21.38 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.076 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.05 23.45 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 157' ' ' GLU . 0.5 OUTLIER -130.88 165.22 23.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.464 ' N ' HD12 ' A' ' 156' ' ' LEU . 62.7 mt-10 -79.68 68.78 5.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -90.77 175.79 6.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -112.22 168.44 9.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.778 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 40.4 m80 -110.42 172.73 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -116.07 26.34 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 57.65 52.23 8.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 9.6 p80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.213 0 CA-C-O 121.36 0.422 . . . . 0.0 112.416 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -38.47 7.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.659 2.24 . . . . 0.0 112.376 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.687 HD12 ' HD2' ' B' ' 119' ' ' ARG . 16.0 tp -76.24 152.32 36.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.46 88.15 0.62 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.458 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 93.0 p -154.75 154.78 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.884 0.373 . . . . 0.0 110.801 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.728 HG12 ' CD ' ' A' ' 130' ' ' LYS . 5.5 m -57.13 -178.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.485 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -91.77 -18.2 24.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.485 ' C ' ' O ' ' B' ' 105' ' ' TRP . 78.0 p -30.78 110.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -130.19 31.88 4.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.68 150.93 23.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -32.62 -83.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.443 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.53 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -96.65 122.25 39.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.431 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -162.47 171.25 17.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.521 ' H ' HG21 ' A' ' 138' ' ' VAL . 49.7 ttm-85 -174.66 137.51 0.6 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 172.03 13.28 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.624 2.216 . . . . 0.0 112.432 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.14 17.81 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 13.3 p -150.66 -175.94 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 52.2 m -147.28 73.89 11.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.701 0.762 . . . . 0.0 110.937 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -172.25 0.56 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.611 2.207 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -106.42 -176.19 3.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.687 ' HD2' HD12 ' B' ' 101' ' ' LEU . 48.3 ttp180 -140.8 150.44 43.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -125.62 165.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.84 158.76 27.69 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.516 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -102.09 -150.24 22.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -168.31 140.76 2.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.962 0.41 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 66.2 t -127.74 126.75 67.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -105.7 177.72 4.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 -142.68 153.21 43.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.0 pp -124.59 168.21 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.93 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -162.33 157.5 19.46 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.498 0.666 . . . . 0.0 111.029 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 167.78 23.61 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.578 2.185 . . . . 0.0 112.363 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 167.7 23.58 Favored 'Trans proline' 0 N--CA 1.464 -0.227 0 C-N-CA 122.78 2.32 . . . . 0.0 112.406 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.88 129.72 17.96 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.347 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 13.1 m -119.07 134.7 55.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -107.03 106.04 16.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.45 101.99 13.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.154 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -60.74 136.32 92.83 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.687 0.756 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 168.74 20.7 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.619 2.213 . . . . 0.0 112.393 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -107.73 128.98 55.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.755 0.312 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.68 170.38 8.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t -166.8 143.25 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -150.67 143.53 24.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.4 t -146.75 165.58 29.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.65 -168.47 18.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.49 -117.4 1.04 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.388 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 56.69 53.02 8.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.813 0.34 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -68.23 124.79 24.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.5 mtt -157.99 179.53 9.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -170.76 -102.73 0.16 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -127.58 147.69 50.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -56.95 160.56 5.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.594 0.711 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.64 -85.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.775 2.317 . . . . 0.0 112.286 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.95 112.05 0.13 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.805 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 164.5 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -64.82 164.15 12.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -159.99 161.93 34.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.3 m80 -151.39 142.26 22.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -164.19 116.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.47 170.29 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 19.9 p90 -108.37 144.31 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -154.24 171.79 18.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.846 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.2 m -162.58 175.8 11.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.08 109.08 2.93 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 97.2 m -146.64 172.48 13.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.83 0.348 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -178.03 170.87 43.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -155.99 -162.76 11.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.0 138.31 9.05 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.546 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -174.38 178.34 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.343 . . . . 0.0 110.901 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.61 51.78 0.46 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.398 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.1 p -66.2 136.32 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.77 0.319 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.04 -79.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.46 -18.35 7.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.52 -179.36 18.22 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.467 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -158.44 159.9 36.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.38 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -100.77 148.27 25.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.604 HD13 ' HB1' ' A' ' 128' ' ' ALA . 1.5 tp -131.96 107.09 8.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -94.47 110.39 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.725 ' HB ' ' HB3' ' A' ' 118' ' ' ALA . 3.2 t -92.6 142.05 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.201 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.7 m -135.85 171.55 14.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.9 t30 60.66 43.43 12.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.696 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -83.23 179.38 7.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.78 174.39 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.759 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -88.27 11.39 16.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.98 -10.27 26.61 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.735 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.8 OUTLIER -101.06 124.46 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.913 0.387 . . . . 0.0 111.159 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 42.0 p -106.38 156.14 18.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -42.28 -46.04 4.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.37 69.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.11 -43.96 67.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.735 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.3 mm -70.12 -41.59 79.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.69 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.4 mt-30 -52.24 -57.76 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.936 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -65.71 -40.21 91.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.095 HD13 HD21 ' A' ' 140' ' ' LEU . 28.2 mt -69.43 -11.37 60.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.672 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -123.25 -1.05 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.535 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -107.47 -50.56 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 40.8 mm-40 -48.43 -26.55 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -48.03 66.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.88 -75.29 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.476 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.84 119.63 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 111.196 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.82 HD11 ' CG2' ' A' ' 120' ' ' VAL . 44.7 tp -129.54 129.67 44.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.61 -48.01 24.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.863 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 134.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.952 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.69 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.0 106.77 10.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.076 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -128.25 120.13 26.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 p -81.55 144.38 10.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.3 t0 -79.29 129.27 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -120.15 135.62 54.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -58.22 -175.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -92.21 38.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -136.03 -38.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 130.96 28.87 0.64 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.8 mmm-85 -144.47 153.2 41.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 110.835 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.0 107.13 2.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.76 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.26 -25.42 3.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.979 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.662 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.69 35.74 0.63 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.5 m -162.06 147.18 12.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.767 0.318 . . . . 0.0 111.085 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.725 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -132.86 152.06 51.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -129.66 122.23 28.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.82 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.2 p -142.77 143.0 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -119.77 140.79 50.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.577 ' CE1' HD22 ' A' ' 77' ' ' LEU . 38.8 m-85 -110.41 151.79 27.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.989 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -78.89 -16.16 57.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.986 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.533 ' HB2' HG23 ' A' ' 71' ' ' VAL . 1.1 ptm180 -139.53 175.62 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.863 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.0 ttm-85 -93.21 -39.11 11.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.795 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.05 -51.83 49.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -58.82 -52.98 63.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.604 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.1 -50.71 63.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.795 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -56.62 -37.07 70.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.5 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 19.1 mmtt -62.66 -74.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.78 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.588 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.54 -25.63 27.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.065 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.493 ' CE ' HD13 ' A' ' 149' ' ' LEU . 8.1 ttp -63.45 -62.38 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -70.61 -13.38 62.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.664 ' CD ' HG21 ' B' ' 104' ' ' VAL . 24.7 mm100 -90.78 -20.71 22.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.533 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 17.9 m-85 -112.44 -15.23 13.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.989 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -52.66 110.45 0.51 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.09 19.17 56.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.484 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.633 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.8 OUTLIER -104.23 147.75 34.84 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.68 0.752 . . . . 0.0 111.037 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.633 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.5 Cg_endo -69.82 158.51 56.64 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.095 HD21 HD13 ' A' ' 94' ' ' LEU . 1.7 tm? -137.13 81.99 1.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.8 t0 74.65 6.16 4.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.09 33.7 0.67 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' A' ' 86' ' ' VAL . 0.0 OUTLIER -163.87 117.27 1.04 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.56 0.695 . . . . 0.0 110.928 -179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 138.83 38.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.63 2.22 . . . . 0.0 112.249 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.533 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -138.23 159.43 42.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -127.88 121.67 30.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.858 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 77' ' ' LEU . 1.8 mp -96.02 133.63 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.087 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -122.4 137.33 54.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.493 HD13 ' CE ' ' A' ' 132' ' ' MET . 15.8 tp -81.91 128.83 34.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 70.9 t -127.01 135.89 62.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.654 ' HB1' ' CG ' ' A' ' 155' ' ' ASP . . . -75.7 115.98 15.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.59 -168.59 0.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.813 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -80.14 -1.73 41.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -115.72 21.83 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.654 ' CG ' ' HB1' ' A' ' 151' ' ' ALA . 1.4 p-10 -93.57 25.34 3.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.44 165.49 1.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -120.54 86.43 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -148.91 108.02 3.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.764 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -66.09 128.19 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 15.4 m170 -72.92 164.36 26.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -115.23 -25.99 7.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -52.39 152.56 3.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.911 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 121.319 0.399 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 -44.11 2.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.596 2.197 . . . . 0.0 112.346 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 20.9 tp -91.37 126.86 36.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.07 106.53 2.27 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.441 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 4.1 t -151.59 131.79 13.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.915 0.388 . . . . 0.0 110.831 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.664 HG21 ' CD ' ' A' ' 134' ' ' GLN . 3.9 m -55.11 177.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.173 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.577 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -84.47 -19.45 33.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.577 ' C ' ' O ' ' B' ' 105' ' ' TRP . 61.2 m -22.35 112.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.821 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -134.06 66.83 1.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.646 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.41 151.33 51.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -28.41 -83.68 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.475 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.532 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -103.14 125.52 49.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.41 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -167.38 167.24 14.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.411 ' H ' HG21 ' A' ' 138' ' ' VAL . 14.2 ptt180 179.32 157.86 0.7 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.531 0.682 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 171.48 14.39 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.61 2.207 . . . . 0.0 112.365 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 17.9 p -131.41 -74.72 0.52 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 1.8 m -121.53 137.53 54.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 34.6 p -119.2 73.11 13.47 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.688 0.756 . . . . 0.0 110.861 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -175.56 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -142.63 153.01 43.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.444 ' HE ' ' N ' ' B' ' 120' ' ' HIS . 0.0 OUTLIER -143.55 108.15 4.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.444 ' N ' ' HE ' ' B' ' 119' ' ' ARG . 57.4 t60 -77.48 138.97 39.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.9 158.58 27.65 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.389 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -156.34 170.67 33.97 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.436 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.87 -173.46 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.009 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 p -172.35 151.88 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.105 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -148.99 167.77 24.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 41.4 mtt-85 -145.08 157.67 44.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 20.5 tp -163.62 117.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -175.52 73.61 0.28 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.57 0.7 . . . . 0.0 110.965 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.81 167.7 23.75 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.265 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 167.64 23.77 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.749 2.299 . . . . 0.0 112.298 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.7 157.56 60.08 Favored 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.687 2.258 . . . . 0.0 112.422 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 8.5 t -113.25 149.04 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.194 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -136.29 157.86 45.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.69 -174.24 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -124.99 71.86 62.99 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.587 0.708 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 131.96 22.43 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.644 2.229 . . . . 0.0 112.3 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -130.84 114.48 15.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 6.4 mmt . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.71 0.29 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 53.92 51.44 14.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 p -119.49 121.56 39.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.784 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -117.27 170.27 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -68.71 160.49 30.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -151.16 -93.86 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.484 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.37 -28.58 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -132.77 112.38 11.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.725 0.298 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -56.05 171.15 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.946 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.8 mtt -142.9 178.96 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.77 72.98 0.18 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -110.84 145.75 37.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.914 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -109.0 160.61 26.77 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.634 0.73 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.8 -26.8 27.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.728 2.285 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.23 58.33 3.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.81 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -130.62 -40.77 1.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 28.1 m0 -91.51 -180.0 5.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.965 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -143.12 -177.0 5.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -109.64 -176.38 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -144.49 111.69 5.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.41 146.2 20.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -179.51 165.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -151.42 -175.1 5.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.4 m -154.71 -177.33 6.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.823 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.41 -156.48 21.36 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.462 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.3 t -132.97 162.28 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.781 0.324 . . . . 0.0 110.984 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.02 -145.36 9.38 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.05 -132.59 7.19 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.438 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.55 -125.54 0.78 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.458 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -57.26 176.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.939 0.4 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 127.35 -30.97 3.93 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.5 p -51.48 142.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 111.066 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.66 -77.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 -31.34 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 155.53 -179.9 31.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.549 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.96 41.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.966 0.412 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.9 mtmt -100.99 152.21 20.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.823 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.6 tp -134.9 107.79 7.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -94.43 114.07 26.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.764 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -97.98 125.43 51.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.407 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.8 OUTLIER -116.01 168.77 9.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.781 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 52.5 t30 56.56 56.19 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.764 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -94.67 -178.85 4.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.24 164.86 13.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.789 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -86.01 8.78 19.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.95 -36.32 2.78 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.804 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.8 m -62.93 126.64 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.88 0.372 . . . . 0.0 111.224 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.3 p -104.12 152.07 22.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.1 -53.3 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.77 -50.77 55.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -53.32 -44.94 68.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.804 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.3 mm -68.27 -36.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.213 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.462 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.3 OUTLIER -59.62 -49.76 76.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -68.0 -35.36 78.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.907 HD13 HD21 ' A' ' 140' ' ' LEU . 22.3 mt -78.15 -12.68 60.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.429 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.3 m-85 -119.74 1.3 11.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -111.56 -47.28 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.446 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 5.8 mm-40 -46.7 -28.65 1.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 4.4 m-85 -57.01 -44.4 82.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -178.6 -71.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.514 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.84 147.34 46.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.764 0.316 . . . . 0.0 111.152 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 104' ' ' ALA . 3.1 tt -142.98 111.46 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -64.86 -50.25 67.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.81 119.4 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -115.53 113.0 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.037 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.22 127.29 14.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.585 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.0 p -88.3 144.61 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.485 ' CB ' HD21 ' A' ' 115' ' ' LEU . 4.1 m-20 -76.07 128.43 34.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.97 135.78 55.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -175.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -94.59 20.12 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t -118.14 -27.56 6.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.96 25.54 2.51 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.392 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.0 mtt85 -142.11 137.11 30.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.795 0.331 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -54.73 118.3 4.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.485 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -55.63 -25.31 38.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 122.97 28.52 1.37 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.52 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.407 HG23 ' HA ' ' A' ' 80' ' ' SER . 8.8 m -158.03 146.09 18.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.724 0.297 . . . . 0.0 111.139 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.585 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -133.65 152.43 51.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -124.13 132.81 53.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 97.2 t -142.4 143.11 26.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.11 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.34 135.21 55.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.553 ' CE1' HD22 ' A' ' 77' ' ' LEU . 16.7 m-85 -111.92 156.18 22.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -88.61 -13.98 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.0 ptp180 -144.96 135.81 24.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.35 -17.22 58.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.653 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -62.69 -53.22 57.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.6 -46.73 78.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.823 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.94 -49.59 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.653 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -59.74 -37.69 79.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.978 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.514 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 29.2 mmtm -62.47 -72.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.59 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -54.51 -25.91 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 15.0 ttp -64.94 -54.9 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -75.21 -15.41 60.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.952 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.698 ' CD ' HG21 ' B' ' 104' ' ' VAL . 28.0 mm100 -90.14 -23.32 21.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.546 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.7 m-85 -108.74 -12.45 14.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.65 108.86 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.44 16.84 45.3 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.417 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.562 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.9 OUTLIER -95.85 144.66 28.21 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.684 0.755 . . . . 0.0 111.079 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.562 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.8 Cg_endo -69.79 159.54 53.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.706 2.271 . . . . 0.0 112.246 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.907 HD21 HD13 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -132.75 75.02 1.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.4 t70 69.99 14.93 7.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.3 37.51 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.431 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.64 111.89 0.48 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.843 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 54.3 Cg_endo -69.6 139.31 40.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.563 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.78 158.64 43.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.815 179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.47 121.04 26.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.546 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.41 138.97 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 43.0 tp60 -131.4 118.89 20.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 77' ' ' LEU . 13.1 tp -66.86 132.22 47.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 96.8 t -126.87 135.12 64.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -68.48 116.35 8.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 4.0 p -75.74 -176.07 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.933 0.397 . . . . 0.0 110.779 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -73.13 -8.73 57.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.442 ' C ' HD12 ' A' ' 154' ' ' ILE . 2.4 pp -123.79 25.53 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.53 35.67 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.884 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -88.24 163.52 16.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -145.94 136.34 23.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.794 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -159.73 179.72 8.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -85.28 151.88 23.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 26.1 p80 -130.39 141.98 50.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -115.38 37.78 3.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -52.03 114.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.82 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 CA-C-O 121.4 0.445 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 126.83 13.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.421 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.2 tt -125.1 105.22 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -135.43 139.1 10.49 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.416 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.89 158.51 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.37 . . . . 0.0 110.823 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.698 HG21 ' CD ' ' A' ' 134' ' ' GLN . 6.2 m -57.79 -177.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.169 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.569 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -92.7 -20.21 21.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.569 ' C ' ' O ' ' B' ' 105' ' ' TRP . 95.9 p -23.12 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -137.38 76.55 1.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.527 HD11 ' O ' ' B' ' 110' ' ' ALA . 0.3 OUTLIER -133.63 149.49 51.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.505 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -29.41 -85.52 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.852 -0.689 . . . . 0.0 112.451 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.527 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -90.13 119.95 30.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.858 0.361 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -166.23 113.64 0.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.501 ' N ' ' HD2' ' B' ' 113' ' ' PRO . 20.0 ttt180 177.27 -59.27 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.707 0.765 . . . . 0.0 110.945 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' B' ' 112' ' ' ARG . 54.5 Cg_endo -69.77 138.09 36.97 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.6 2.2 . . . . 0.0 112.376 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.22 169.56 17.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 6.0 p -160.9 110.01 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.59 74.63 0.25 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.691 0.758 . . . . 0.0 110.883 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -172.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.724 2.283 . . . . 0.0 112.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -51.83 162.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.78 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -170.31 118.98 0.57 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -52.74 150.06 5.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.82 158.7 27.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -139.81 -178.52 16.83 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.471 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.06 157.27 17.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 13.0 p -156.57 150.23 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -104.96 -174.73 2.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 ttp180 -155.77 138.94 15.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.973 0.416 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -148.86 -176.05 5.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -127.24 160.26 60.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.677 0.751 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.69 23.67 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.629 2.219 . . . . 0.0 112.374 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 167.82 23.3 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.311 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 139.28 40.02 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.753 2.302 . . . . 0.0 112.361 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 2.8 t -130.57 154.58 47.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -111.45 156.03 22.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.923 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -126.47 164.59 20.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -127.63 138.59 33.18 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 169.87 17.86 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.341 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -124.79 136.12 53.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.153 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.831 -179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.32 133.36 7.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -123.12 152.88 40.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.791 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 3.4 mmt -130.72 160.91 32.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.7 t -169.97 161.07 8.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -163.26 162.65 34.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.501 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.65 166.79 39.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -173.4 154.66 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.705 0.288 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -169.82 161.91 9.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 64.6 mtm -139.33 176.24 8.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.52 44.56 0.26 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.4 ptt85 -112.35 140.3 47.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.17 160.18 31.02 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.661 0.743 . . . . 0.0 110.818 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.94 -33.81 15.18 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.602 2.201 . . . . 0.0 112.31 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -163.15 105.46 1.01 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.843 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 ptpt -60.59 167.03 2.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -61.83 -175.58 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.8 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -139.95 -176.02 4.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -159.25 174.14 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -161.82 107.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.08 170.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -132.72 151.24 52.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -153.08 151.41 30.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 82.1 p -174.54 156.8 2.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.021 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -169.3 175.89 43.48 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.428 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 83.6 m -143.56 -174.28 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.791 0.329 . . . . 0.0 110.967 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.45 -176.9 30.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -171.07 -149.15 6.34 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.387 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.439 ' HA3' HD21 ' A' ' 129' ' ' LEU . . . 144.58 121.49 1.49 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.464 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -166.08 164.46 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 124.08 30.3 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.559 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.9 p -79.85 135.43 25.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 111.119 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -145.65 -79.78 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.96 -21.99 6.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.143 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 143.72 -174.05 24.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -163.78 155.88 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -95.34 147.08 23.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.588 ' CD1' HD12 ' A' ' 149' ' ' LEU . 1.7 tp -131.89 109.71 10.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.2 tp -97.62 117.07 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.775 HG12 HD21 ' A' ' 82' ' ' LEU . 3.1 t -97.18 130.32 45.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.0 OUTLIER -122.49 168.27 12.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.1 t30 61.5 50.66 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.775 HD21 HG12 ' A' ' 79' ' ' VAL . 4.1 mm? -90.56 178.81 5.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.74 171.27 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.2 10.72 11.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.24 -41.0 1.99 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.737 HG21 HD12 ' A' ' 82' ' ' LEU . 1.4 m -63.06 127.88 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 p -109.46 156.57 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.39 -55.24 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.68 -48.56 58.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.084 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -52.84 -45.69 67.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.66 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.5 mm -71.12 -38.45 71.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.586 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -53.8 -56.83 13.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -67.69 -40.16 84.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.116 HD13 HD21 ' A' ' 140' ' ' LEU . 24.0 mt -67.81 -11.97 59.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.693 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.7 m-85 -125.53 0.6 7.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.523 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.12 -51.51 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.473 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 12.2 mm-40 -49.06 -25.39 2.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.994 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.625 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.4 m-85 -53.93 -33.0 55.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 160.83 -78.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -128.15 121.13 28.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.791 0.329 . . . . 0.0 111.098 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.745 HD11 ' CG2' ' A' ' 120' ' ' VAL . 41.8 tp -131.84 115.52 16.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.981 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.0 mtpp -61.3 -46.72 89.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.791 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.11 153.61 1.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -144.28 110.35 5.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -138.07 120.83 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.8 144.67 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.206 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -78.65 129.06 34.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -122.96 134.61 54.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 p-10 -59.6 -174.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -96.19 27.6 3.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -120.87 -31.56 4.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.73 27.83 1.52 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -148.0 139.52 23.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.813 0.34 . . . . 0.0 110.926 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.16 116.39 3.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -29.78 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.06 32.14 0.7 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 80' ' ' SER . 5.2 m -161.52 146.43 13.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 111.06 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.636 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.25 158.39 43.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -130.98 126.83 37.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.745 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -143.21 141.58 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -117.45 139.08 51.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.555 ' CE1' HD22 ' A' ' 77' ' ' LEU . 41.6 m-85 -109.45 152.8 24.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -80.73 -15.8 55.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.559 ' HB2' HG23 ' A' ' 71' ' ' VAL . 8.4 ptm180 -140.64 175.84 9.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.9 ttt180 -91.78 -36.73 13.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.66 -49.88 56.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -62.8 -40.89 98.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.504 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -58.02 -63.74 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.067 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.2 OUTLIER -53.67 -33.25 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.785 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.0 OUTLIER -60.26 -76.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.625 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -58.48 -21.85 52.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.601 ' CE ' HD13 ' A' ' 149' ' ' LEU . 10.0 ttp -64.14 -63.93 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -70.1 -15.95 63.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.767 ' CD ' HG21 ' B' ' 104' ' ' VAL . 22.9 mm100 -85.95 -25.06 26.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.548 ' CB ' HD13 ' A' ' 147' ' ' ILE . 17.4 m-85 -108.85 -11.95 14.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -52.83 110.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.27 15.67 51.95 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.465 HG21 ' H ' ' B' ' 112' ' ' ARG . 1.2 t -98.63 145.96 30.79 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.535 0.684 . . . . 0.0 111.149 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.456 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.7 Cg_endo -69.91 158.94 55.09 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.581 2.188 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.116 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -136.71 83.55 2.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . 0.448 ' CG ' HD13 ' A' ' 140' ' ' LEU . 4.7 m-20 69.95 10.42 7.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.8 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.26 39.99 0.53 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.64 115.53 0.46 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.553 0.692 . . . . 0.0 110.956 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 138.62 38.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.631 2.221 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.532 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -139.53 160.42 39.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.43 122.31 27.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.548 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.67 138.58 20.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.162 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -128.05 138.57 52.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.601 HD13 ' CE ' ' A' ' 132' ' ' MET . 11.9 tp -81.08 128.34 33.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 99.5 t -126.93 136.01 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.93 120.83 16.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 2.3 p -86.51 -175.05 5.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.801 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -71.0 -9.51 58.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 154' ' ' ILE . 2.3 pp -119.65 25.01 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.06 36.17 1.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.827 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.653 ' C ' HD22 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -51.26 169.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.538 ' N ' HD22 ' A' ' 156' ' ' LEU . 19.8 mt-10 -114.06 119.96 38.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -60.84 130.21 45.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -104.35 -36.09 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -151.44 139.89 20.51 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.805 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -113.0 30.52 7.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 65.7 m170 -106.07 99.42 9.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.755 -179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 CA-C-O 121.37 0.428 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -46.76 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.602 2.201 . . . . 0.0 112.408 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 6.1 mp -77.24 143.77 38.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -100.8 108.4 3.46 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.505 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 25.1 p -148.22 121.66 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.785 HG12 ' HD3' ' A' ' 130' ' ' LYS . 23.6 m -65.39 157.6 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.172 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.578 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.1 OUTLIER -74.39 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.953 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.578 ' C ' ' O ' ' B' ' 105' ' ' TRP . 74.6 m -21.83 113.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -139.48 71.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.617 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -133.53 151.24 51.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.819 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -30.39 -85.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.572 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -99.37 128.92 45.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.6 ptt-85 -169.7 179.33 3.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.465 ' H ' HG21 ' A' ' 138' ' ' VAL . 45.2 ttm-85 -177.85 137.58 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.61 172.18 12.96 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.9 t -122.45 -170.6 2.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 54.5 m -91.52 -60.42 1.89 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.07 160.47 0.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.697 0.761 . . . . 0.0 110.864 -179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.91 -171.71 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.228 . . . . 0.0 112.265 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.7 176.7 10.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -168.55 170.07 9.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -164.23 161.56 22.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -144.73 158.67 27.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -179.93 158.01 21.25 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.582 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.98 150.02 12.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 46.6 t -146.69 141.97 20.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -142.1 171.89 13.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.061 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -157.61 -174.78 5.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.401 ' C ' HD12 ' B' ' 127' ' ' LEU . 4.5 pp -144.62 174.41 10.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -134.3 137.96 29.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.601 0.715 . . . . 0.0 111.002 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.8 23.45 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 167.95 22.82 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 156.67 62.52 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 24.8 p -133.83 131.81 39.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.185 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.13 157.91 44.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -121.43 169.6 10.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -135.42 70.85 67.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.567 0.699 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.6 23.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.317 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -122.0 147.62 45.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.906 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.752 0.31 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 58.55 52.47 6.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.018 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.3 m -123.57 117.87 26.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.819 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 13.8 mtt -111.0 160.32 16.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.821 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -141.65 154.83 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.167 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.95 -157.84 17.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.438 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.93 -152.85 6.0 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.567 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -142.74 175.88 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.736 0.303 . . . . 0.0 110.942 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -173.2 172.96 3.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -132.6 97.11 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.5 64.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -106.1 137.24 44.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.771 0.32 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -127.52 160.1 62.28 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.65 0.738 . . . . 0.0 110.846 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.83 -25.36 28.36 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.711 2.274 . . . . 0.0 112.246 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.3 t70 53.5 51.82 14.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -79.11 123.17 27.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -62.54 173.33 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -150.61 137.8 19.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.847 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -167.27 164.35 15.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -167.7 111.62 0.66 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.73 142.62 14.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -170.9 165.14 7.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -170.97 108.84 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.3 t -174.6 115.07 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.777 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 174.46 171.98 39.18 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 83.5 m -144.9 -177.37 5.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -129.83 -175.73 14.15 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 145.4 -174.12 25.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 154.15 -172.18 32.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 58.9 24.68 12.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.895 0.378 . . . . 0.0 110.942 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -112.98 22.32 16.37 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.514 HG23 ' HB2' ' A' ' 124' ' ' ARG . 6.2 p -67.41 142.38 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.71 -79.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.19 -20.9 7.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.64 179.67 18.36 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.42 159.39 37.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 111.051 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 0.6 OUTLIER -100.72 150.25 22.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.603 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.3 tp -136.38 110.18 8.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.839 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.2 tp -95.08 115.91 28.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.646 HG12 HD21 ' A' ' 82' ' ' LEU . 1.6 t -93.72 132.45 37.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.176 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.405 ' HA ' HG23 ' A' ' 117' ' ' THR . 12.9 m -126.61 169.44 13.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.4 t30 60.82 42.68 12.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.741 HD12 HG21 ' A' ' 86' ' ' VAL . 3.9 mm? -82.56 -179.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -120.87 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -84.68 10.32 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -105.02 -38.7 2.44 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.9 m -63.79 128.93 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.821 0.343 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.5 p -106.67 151.78 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.93 -40.51 4.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.45 74.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -53.19 -44.74 68.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -69.93 -37.33 72.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.168 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.722 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -55.7 -52.92 62.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -71.43 -35.22 70.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.902 HD13 HD21 ' A' ' 140' ' ' LEU . 13.9 mt -72.75 -13.31 61.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.553 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.9 m-85 -120.2 -7.02 9.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.836 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.549 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -102.3 -51.08 3.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.151 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 13.2 mm-40 -47.83 -27.6 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.1 m-85 -52.1 -47.33 65.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.49 -73.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.548 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -134.79 118.89 17.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.85 0.357 . . . . 0.0 111.082 -179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 104' ' ' ALA . 62.8 tp -130.68 121.72 26.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -68.94 -42.72 76.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.01 155.04 1.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.722 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -149.61 105.49 3.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.52 124.1 24.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.078 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.564 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.7 p -82.48 144.81 9.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.633 ' HB3' HD11 ' A' ' 115' ' ' LEU . 16.5 t0 -83.47 130.91 35.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.782 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -116.96 138.8 51.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -59.13 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -92.98 25.38 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -120.47 -29.09 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.778 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.91 17.66 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.432 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -135.29 151.1 50.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.764 0.316 . . . . 0.0 110.94 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -60.44 109.72 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.817 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 116' ' ' GLY . 0.4 OUTLIER -50.75 -25.43 4.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.901 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.647 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 124.37 30.68 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.51 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.405 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.9 m -162.04 146.25 12.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.33 . . . . 0.0 111.101 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.564 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 156.37 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.039 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -120.69 136.4 54.86 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.595 ' CG1' HD11 ' A' ' 101' ' ' LEU . 18.4 t -143.39 140.5 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.63 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.2 m170 -124.25 125.74 44.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.509 ' CE1' HD22 ' A' ' 77' ' ' LEU . 64.4 m-85 -102.96 147.67 26.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.548 ' HG3' HG22 ' A' ' 100' ' ' THR . 3.3 mt-10 -78.18 -13.26 59.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HE ' ' HB3' ' A' ' 126' ' ' ALA . 0.4 OUTLIER -140.59 176.73 8.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -93.52 -40.99 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.758 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.74 -53.37 32.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.071 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.401 ' H ' ' CG ' ' A' ' 124' ' ' ARG . 64.8 t0 -56.78 -49.77 74.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.603 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.55 -52.88 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -56.24 -35.49 67.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.58 -75.18 0.08 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.589 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.32 -24.14 27.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.119 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.684 ' HE3' HD12 ' A' ' 149' ' ' LEU . 2.5 ttp -64.46 -61.65 2.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.943 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -72.81 -12.21 60.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.707 ' CD ' HG21 ' B' ' 104' ' ' VAL . 23.0 mm100 -90.33 -24.49 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.56 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.0 m-30 -108.83 -15.96 14.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.994 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -52.77 109.55 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 63.17 18.08 59.97 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.09 139.64 20.64 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.623 0.725 . . . . 0.0 110.995 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.1 Cg_endo -69.93 157.35 60.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.285 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.902 HD21 HD13 ' A' ' 94' ' ' LEU . 0.6 OUTLIER -127.87 73.64 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.0 t0 68.2 17.53 9.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.0 38.04 0.58 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.589 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.28 107.91 0.48 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.931 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.5 Cg_endo -69.72 135.32 30.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.643 2.229 . . . . 0.0 112.33 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.6 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -133.57 155.57 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.86 117.71 22.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.56 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.45 137.59 22.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -126.64 139.63 53.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.932 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.684 HD12 ' HE3' ' A' ' 132' ' ' MET . 3.0 tt -78.88 129.33 34.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.466 ' N ' HD23 ' A' ' 149' ' ' LEU . 70.0 t -128.67 135.69 61.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -71.5 126.53 29.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.0 t -88.36 -169.6 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.747 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -77.23 -8.47 57.63 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -119.31 24.41 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.171 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.51 35.25 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.76 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.6 -78.2 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -103.97 -172.19 2.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -136.48 160.66 38.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -131.39 126.85 36.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 50.8 t60 -130.21 69.17 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -115.56 38.15 3.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.814 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -91.41 127.12 36.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 119.248 -0.406 . . . . 0.0 110.881 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.441 0 CA-C-O 121.47 0.483 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.708 2.272 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.49 119.07 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -144.69 138.07 7.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.437 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 75.9 p -152.05 136.02 16.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.707 HG21 ' CD ' ' A' ' 134' ' ' GLN . 5.0 m -55.13 174.05 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.3 OUTLIER -80.51 -21.09 42.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.54 ' C ' ' O ' ' B' ' 105' ' ' TRP . 87.8 p -25.59 111.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.794 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 56.4 ttp85 -136.7 73.19 1.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.6 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.49 149.2 51.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -24.2 -86.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.468 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.489 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -98.56 116.38 30.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.845 0.355 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 5.9 tmm_? -152.1 142.02 22.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 11.4 ptt180 -145.98 157.43 50.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.548 0.69 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 169.51 18.64 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 1.3 m -97.61 -5.38 35.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 16.7 m 58.66 51.95 7.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.934 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 47.9 t -136.64 70.13 59.37 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.689 0.757 . . . . 0.0 110.778 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.71 125.61 12.38 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.825 2.35 . . . . 0.0 112.358 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -135.15 91.98 2.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.95 145.75 4.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.821 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -73.48 118.79 16.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -138.48 158.52 24.99 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -52.79 -31.02 37.55 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.59 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.57 175.77 13.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.784 0.326 . . . . 0.0 110.941 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 22.2 t -110.67 85.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.94 109.91 2.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.087 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -74.11 172.91 10.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 6.8 mt -113.07 108.93 18.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.87 69.08 1.01 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.409 ' HA ' ' HD2' ' B' ' 130' ' ' PRO . 53.0 Cg_endo -69.84 112.48 3.1 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' B' ' 129' ' ' PRO . 52.8 Cg_endo -69.96 167.83 23.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.598 2.199 . . . . 0.0 112.324 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 135.77 31.41 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.656 2.237 . . . . 0.0 112.312 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 70.0 p -81.36 98.99 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -110.85 150.19 29.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.43 110.04 10.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -116.58 70.74 4.73 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-O 121.605 0.716 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 163.95 36.43 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.32 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -117.94 130.37 56.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 21.9 ttm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.824 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.3 mtp . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.44 148.43 6.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.4 p -153.5 139.46 18.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.28 178.85 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.1 m -131.17 -65.35 0.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.54 175.33 40.17 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.551 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.37 132.82 2.21 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -147.2 159.11 44.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -174.66 133.4 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.8 mtp -145.26 158.85 43.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.802 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.49 86.38 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.576 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -102.72 136.04 43.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.723 0.297 . . . . 0.0 110.98 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -51.62 158.56 1.5 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.635 0.731 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -25.14 28.69 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.725 2.283 . . . . 0.0 112.355 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 55.56 40.21 31.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -90.94 -25.99 19.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 10.1 m0 -52.22 111.18 0.58 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.78 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm-40 -144.97 167.87 21.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -148.27 145.04 28.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.815 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -162.31 123.11 2.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 176.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -151.3 137.09 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -165.05 120.09 1.34 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.4 t -169.25 165.5 10.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 160.7 72.3 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.558 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 8.5 p -176.69 169.25 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.989 0.423 . . . . 0.0 110.781 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.45 161.66 9.73 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.434 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 164.03 177.71 36.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.437 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.47 149.52 14.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.492 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -174.23 147.69 1.23 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.364 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.99 82.43 0.2 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.436 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.4 p -81.31 139.76 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.316 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.01 -79.76 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 p -120.14 -25.08 5.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.238 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.43 -178.02 26.29 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -160.64 159.03 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 0.0 111.131 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.21 147.28 24.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 147' ' ' ILE . 2.7 tp -130.83 106.37 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 tp -94.7 111.73 23.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.741 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.748 HG12 HD21 ' A' ' 82' ' ' LEU . 6.1 t -92.6 140.05 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 m -133.04 171.91 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.8 t30 60.41 45.34 11.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.748 HD21 HG12 ' A' ' 79' ' ' VAL . 4.2 mm? -84.26 179.76 7.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.89 174.85 8.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -89.44 13.82 12.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.418 ' N ' HH21 ' A' ' 143' ' ' ARG . . . -110.45 -10.28 22.04 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.518 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.811 ' HB ' HD11 ' A' ' 91' ' ' ILE . 0.4 OUTLIER -101.07 120.41 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.834 0.349 . . . . 0.0 111.107 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -101.54 153.88 19.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -42.64 -40.13 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -53.73 54.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.079 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -53.22 -42.5 66.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.811 HD11 ' HB ' ' A' ' 86' ' ' VAL . 5.5 mm -71.21 -36.47 62.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.612 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 1.1 tp60 -58.53 -50.01 75.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -72.55 -33.02 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.82 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.992 HD13 HD21 ' A' ' 140' ' ' LEU . 16.0 mt -76.96 -12.14 59.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.563 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.7 m-85 -119.93 -8.59 9.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.556 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -101.84 -49.4 3.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.452 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 15.4 mm-40 -47.28 -28.04 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.613 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.8 m-85 -53.37 -40.79 65.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.84 -75.09 0.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.49 121.88 28.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 111.191 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 104' ' ' ALA . 58.7 tp -132.64 118.95 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -46.1 82.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.22 142.4 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.733 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -134.3 102.93 5.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.12 121.48 23.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.103 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 118' ' ' ALA . 3.5 p -81.87 143.89 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.221 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.714 ' HB3' HD11 ' A' ' 115' ' ' LEU . 20.6 t0 -79.31 129.56 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.759 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -118.75 133.46 55.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.921 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -175.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 52.8 mtp85 -93.22 34.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.3 m -128.36 -36.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 129.24 31.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -152.34 156.93 40.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.812 0.339 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 t -66.64 110.13 3.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.714 HD11 ' HB3' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -50.89 -25.28 4.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.969 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.672 ' N ' HD12 ' A' ' 115' ' ' LEU . . . 125.56 32.19 0.78 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.44 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 m -161.99 146.96 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.057 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.519 ' HB2' ' HG ' ' A' ' 82' ' ' LEU . . . -135.29 152.01 51.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -119.59 133.47 55.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.657 ' CG1' HD11 ' A' ' 101' ' ' LEU . 11.7 t -143.46 143.77 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.187 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.684 ' O ' HD12 ' A' ' 101' ' ' LEU . 6.8 m170 -126.64 133.76 50.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.465 ' CE1' HD22 ' A' ' 77' ' ' LEU . 56.5 m-85 -113.72 153.54 28.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -88.7 -14.1 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.26 156.94 47.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.856 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 51.8 ttt180 -78.61 -36.8 43.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.03 62.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -66.31 -44.4 83.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -54.94 -61.42 2.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -56.44 -34.05 66.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.843 ' HD3' HG12 ' B' ' 104' ' ' VAL . 0.3 OUTLIER -58.48 -74.95 0.06 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.613 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -59.78 -23.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.057 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.513 ' CE ' HD13 ' A' ' 149' ' ' LEU . 9.0 ttp -62.02 -60.71 3.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -72.98 -17.66 61.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.725 ' CD ' HG21 ' B' ' 104' ' ' VAL . 27.3 mm100 -85.35 -20.51 29.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.797 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.512 ' CB ' HD13 ' A' ' 147' ' ' ILE . 18.2 m-30 -113.08 -14.35 12.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.081 0.467 . . . . 0.0 111.006 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -52.82 110.58 0.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.8 16.64 52.32 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.515 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.622 HG22 ' H ' ' B' ' 112' ' ' ARG . 1.0 OUTLIER -99.54 143.6 26.74 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.58 0.705 . . . . 0.0 111.16 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 52.3 Cg_endo -69.86 157.13 61.23 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.704 2.27 . . . . 0.0 112.288 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.992 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -134.55 81.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.5 t70 73.91 6.58 4.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 126.55 33.37 0.66 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.418 HH21 ' N ' ' A' ' 85' ' ' GLY . 0.0 OUTLIER -162.86 115.11 1.1 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.642 0.734 . . . . 0.0 110.877 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.77 137.88 36.47 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.639 2.226 . . . . 0.0 112.324 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.648 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -136.55 155.2 50.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.935 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -125.32 121.62 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.599 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -94.25 136.17 26.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -123.8 137.99 54.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.991 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.513 HD13 ' CE ' ' A' ' 132' ' ' MET . 14.1 tp -81.41 126.35 31.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 78.7 t -126.93 135.29 64.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.15 127.44 33.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.26 -168.47 2.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.784 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -74.43 -6.55 48.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.4 pp -117.09 20.95 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -110.99 40.22 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 156' ' ' LEU . 4.1 mm? -103.17 178.09 4.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -81.1 58.82 3.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 85.3 m-70 -97.33 -176.51 3.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -163.69 166.84 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -169.44 166.74 10.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.811 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -115.94 -26.85 7.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 57.41 47.45 16.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 30.2 p80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 121.371 0.428 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -39.16 6.8 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.621 2.214 . . . . 0.0 112.338 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 21.7 mt -76.54 149.26 36.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -110.15 98.19 1.07 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.4 t -152.61 112.39 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.959 0.409 . . . . 0.0 110.878 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.843 HG12 ' HD3' ' A' ' 130' ' ' LYS . 15.2 m -68.13 145.54 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.208 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.5 OUTLIER -59.26 -21.1 59.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.509 ' C ' ' O ' ' B' ' 105' ' ' TRP . 4.8 t -28.71 112.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.794 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -145.5 77.93 1.53 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.684 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.3 OUTLIER -131.11 151.98 50.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.547 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.27 -86.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.582 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -106.07 134.68 48.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.163 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.536 ' CG ' ' O ' ' B' ' 111' ' ' ARG . 4.7 ptt85 -169.87 102.83 0.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.622 ' H ' HG22 ' A' ' 138' ' ' VAL . 7.3 ptm180 37.11 75.38 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.544 0.688 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.6 112.04 2.94 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.729 2.286 . . . . 0.0 112.36 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.0 p -163.31 -175.29 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 7.2 p -147.71 166.31 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.9 160.63 33.36 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.638 0.732 . . . . 0.0 110.888 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.86 -172.99 0.64 Allowed 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.657 2.238 . . . . 0.0 112.286 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -132.22 163.09 29.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -126.28 131.2 51.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -110.75 136.2 50.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.945 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -108.16 146.75 16.43 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.415 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 137.98 173.99 13.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.67 146.07 47.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.876 0.369 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 61.8 t -119.11 98.41 6.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.078 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -94.98 152.46 18.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.69 144.19 31.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 23.4 tp -109.39 -77.14 0.6 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 55.45 75.22 0.62 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.538 0.685 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 167.68 23.83 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.608 2.206 . . . . 0.0 112.244 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' B' ' 131' ' ' PRO . 55.2 Cg_endo -69.59 112.2 2.98 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.769 2.313 . . . . 0.0 112.418 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' B' ' 130' ' ' PRO . 53.6 Cg_endo -69.8 124.92 11.54 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.634 2.222 . . . . 0.0 112.325 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 34.3 p -81.12 130.31 34.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -125.38 130.53 52.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -84.85 88.92 7.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -51.69 156.92 2.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.584 0.707 . . . . 0.0 110.919 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 143.45 50.48 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.612 2.208 . . . . 0.0 112.277 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -91.26 124.25 35.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.716 0.293 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.0 149.1 51.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.7 p -174.32 120.34 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.911 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -136.22 128.83 30.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.2 m -148.92 148.26 29.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.177 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -174.84 134.18 2.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.536 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 148.04 137.73 2.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -144.06 150.85 38.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -174.42 137.44 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.2 ptp -142.47 150.07 40.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.31 43.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -128.62 147.24 50.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.797 0.332 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.74 158.46 1.6 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.692 0.758 . . . . 0.0 110.818 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -86.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.787 2.325 . . . . 0.0 112.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.33 111.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.08 121.04 44.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -54.44 162.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -162.88 -178.35 6.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 p-80 -179.85 156.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -169.44 113.52 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.841 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.2 118.45 6.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -155.15 175.6 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -118.0 -177.08 3.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -133.35 172.69 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.02 159.65 32.29 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 m -153.98 166.35 33.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.7 132.99 3.84 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.477 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 163.55 175.75 34.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.445 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.48 -103.47 1.31 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.565 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -57.11 175.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.959 0.409 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -135.19 -109.65 1.04 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.729 HG23 ' HB2' ' A' ' 124' ' ' ARG . 5.4 p -60.04 136.39 23.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.716 0.294 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.88 -79.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.5 t -125.15 -29.69 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 151.47 174.98 22.81 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -162.79 152.83 16.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.795 0.331 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -94.81 152.55 18.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 149' ' ' LEU . 3.8 tp -139.22 108.9 6.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.749 HD23 ' CG2' ' A' ' 150' ' ' VAL . 0.5 OUTLIER -97.69 134.77 40.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.881 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.797 HG12 HD21 ' A' ' 82' ' ' LEU . 3.5 t -108.1 132.79 54.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.29 166.5 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 50.2 t30 60.87 53.34 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.963 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.797 HD21 HG12 ' A' ' 79' ' ' VAL . 4.3 mm? -94.97 -178.98 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.82 169.85 17.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -83.51 0.31 47.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.809 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.19 -11.76 77.76 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.698 HG13 HD12 ' A' ' 140' ' ' LEU . 0.2 OUTLIER -98.39 164.92 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 111.132 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.1 m -135.13 147.55 49.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.41 -56.76 3.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.29 -45.74 54.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.053 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -53.32 -43.1 67.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.589 HD11 ' CG1' ' A' ' 86' ' ' VAL . 5.1 mm -72.17 -36.5 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.645 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -55.7 -52.67 63.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.84 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -72.0 -35.87 69.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.885 HD13 HD21 ' A' ' 140' ' ' LEU . 14.4 mt -71.88 -11.83 60.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' C ' HD22 ' A' ' 101' ' ' LEU . 6.6 m-85 -122.53 -5.19 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.477 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -100.92 -51.04 3.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.479 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 18.5 mm-40 -49.88 -25.12 2.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.3 m-85 -56.13 -31.63 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 162.0 -82.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.61 HG22 ' HG3' ' A' ' 123' ' ' GLU . 0.2 OUTLIER -127.18 119.01 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.723 0.297 . . . . 0.0 111.054 -179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.736 HD21 ' HB2' ' A' ' 104' ' ' ALA . 63.9 tp -129.03 117.69 21.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.72 -41.49 87.83 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.69 153.14 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.968 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.736 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -147.29 109.26 4.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -140.48 126.63 19.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.073 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.659 HG23 ' HB2' ' A' ' 118' ' ' ALA . 5.6 p -86.54 144.58 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.077 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HB3' HD21 ' A' ' 115' ' ' LEU . 2.2 m-20 -77.4 123.75 26.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.82 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -112.84 151.01 30.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.79 -178.35 4.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.839 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 20.7 ptt180 -88.98 49.11 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.02 -42.36 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.775 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 134.63 37.95 0.2 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 -152.0 140.46 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.4 t -61.12 115.75 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.836 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.417 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -53.52 -26.56 21.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.15 29.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.574 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.43 ' HA ' HD23 ' A' ' 82' ' ' LEU . 4.4 m -161.72 146.96 13.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.791 0.329 . . . . 0.0 111.158 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.659 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.61 160.82 37.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.085 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -127.72 137.36 52.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.639 ' CG1' HD11 ' A' ' 101' ' ' LEU . 6.8 t -143.38 143.8 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.239 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.665 ' O ' HD12 ' A' ' 101' ' ' LEU . 7.9 m170 -125.02 126.77 45.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -105.54 149.66 26.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.61 ' HG3' HG22 ' A' ' 100' ' ' THR . 4.0 mt-10 -79.12 -16.13 57.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.729 ' HB2' HG23 ' A' ' 71' ' ' VAL . 5.8 ptt180 -143.15 176.77 8.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -92.51 -30.81 15.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.622 ' HB3' ' HE ' ' A' ' 124' ' ' ARG . . . -51.27 -52.42 45.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.476 ' CG ' ' HG2' ' A' ' 124' ' ' ARG . 4.3 p30 -67.56 -34.07 76.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.16 -60.17 4.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.545 HD13 ' C ' ' B' ' 138' ' ' ARG . 0.5 OUTLIER -59.68 -31.85 69.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.732 ' CD ' HG12 ' B' ' 104' ' ' VAL . 20.1 mmtt -59.87 -73.37 0.09 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.585 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -60.86 -23.78 65.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.461 ' HA ' HG21 ' A' ' 147' ' ' ILE . 7.8 ttp -63.28 -56.49 16.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.97 -19.07 59.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.739 ' CD ' HG21 ' B' ' 104' ' ' VAL . 22.7 mm100 -83.17 -24.57 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.537 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.2 m-30 -111.31 -8.59 14.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.01 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.01 108.71 0.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.69 15.32 47.19 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.454 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.44 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -94.21 146.4 31.51 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.532 0.682 . . . . 0.0 111.164 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.538 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 54.0 Cg_endo -69.83 158.82 55.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.656 2.237 . . . . 0.0 112.354 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.888 HD22 HD13 ' B' ' 108' ' ' LEU . 1.1 tm? -140.69 86.93 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 17.1 t0 75.82 5.78 3.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.92 29.58 1.23 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.451 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.56 120.82 1.97 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.63 0.729 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.426 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.1 Cg_endo -69.79 141.52 45.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.268 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -140.31 155.57 46.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.782 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.32 123.53 40.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.875 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.578 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -96.61 135.5 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.053 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -127.83 134.47 49.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.714 ' HA ' HD12 ' A' ' 77' ' ' LEU . 11.1 tp -74.25 132.68 42.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.749 ' CG2' HD23 ' A' ' 78' ' ' LEU . 45.0 t -127.06 135.77 62.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.584 ' HB1' ' HB3' ' A' ' 155' ' ' ASP . . . -71.32 104.69 3.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.064 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 6.2 t -66.54 -169.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -73.51 -8.46 56.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.09 23.87 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.584 ' HB3' ' HB1' ' A' ' 151' ' ' ALA . 0.4 OUTLIER -101.9 35.78 2.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.89 179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 156' ' ' LEU . 4.0 mm? -101.93 177.93 4.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -96.84 26.11 4.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -104.74 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.779 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -111.0 164.77 12.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -125.37 155.86 39.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 29.6 p80 -113.16 35.06 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.809 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -83.45 156.05 23.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.962 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 121.45 0.472 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -23.23 31.09 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.601 2.2 . . . . 0.0 112.364 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.532 HD23 ' H ' ' B' ' 101' ' ' LEU . 1.0 OUTLIER -101.06 152.79 20.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' B' ' 117' ' ' PRO . . . -112.92 110.15 2.48 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.521 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 47.6 t -153.75 137.87 16.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.885 0.374 . . . . 0.0 110.782 -179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.739 HG21 ' CD ' ' A' ' 134' ' ' GLN . 13.5 m -60.17 -177.83 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.211 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.529 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.2 OUTLIER -97.06 -20.66 17.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -25.91 113.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.852 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 -143.86 65.5 1.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.774 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.888 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -118.8 149.69 41.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -34.25 -83.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.538 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -82.18 116.89 21.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 111.16 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 60.0 ttp85 -162.68 150.04 13.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -98.02 137.52 20.88 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.574 0.702 . . . . 0.0 110.822 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.47 16.11 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.387 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.3 t -117.87 -176.62 3.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.955 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 88.7 m -134.39 131.54 38.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 3.5 t -171.04 74.32 0.54 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.718 0.77 . . . . 0.0 110.896 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.407 ' HA ' ' HA3' ' B' ' 102' ' ' GLY . 52.8 Cg_endo -69.99 -8.21 23.03 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.757 2.305 . . . . 0.0 112.279 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 51.91 56.33 7.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 25.4 ptt-85 -60.08 -26.79 66.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -76.07 88.12 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -120.03 154.09 16.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 160.84 140.99 3.01 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.442 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mmtp -68.94 -176.86 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.735 0.303 . . . . 0.0 110.982 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -125.21 -74.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.85 5.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -148.73 175.55 11.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 19.5 mt -71.65 174.32 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -120.66 73.44 23.16 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.635 0.731 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.82 167.7 23.78 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.728 2.285 . . . . 0.0 112.296 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . 0.428 ' HA ' ' HD2' ' B' ' 131' ' ' PRO . 54.3 Cg_endo -69.82 112.31 3.06 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.75 2.3 . . . . 0.0 112.386 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' B' ' 130' ' ' PRO . 54.1 Cg_endo -69.77 136.14 32.21 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.677 2.251 . . . . 0.0 112.468 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 3.1 m -82.12 156.48 24.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -67.46 150.46 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.973 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -176.89 -178.77 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -55.7 136.59 71.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 134.07 26.9 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.591 2.194 . . . . 0.0 112.301 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.02 152.93 42.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . 0.545 ' C ' HD13 ' A' ' 129' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.763 0.316 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.13 113.2 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 m -89.11 167.7 12.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.9 mtm -84.58 178.82 7.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -161.62 156.56 23.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.21 -158.47 16.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.23 160.26 28.29 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.534 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -114.82 159.34 20.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -140.7 150.88 44.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.4 mmt -142.51 165.35 27.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.06 32.33 1.68 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -93.44 143.53 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -69.63 160.51 79.35 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.599 0.714 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.75 -21.8 33.05 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.852 2.368 . . . . 0.0 112.322 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -173.18 109.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -55.86 160.19 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -55.03 172.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -141.13 161.08 38.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -126.86 152.82 46.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.818 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -168.8 93.42 0.31 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -56.55 174.65 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -145.29 161.62 39.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -171.05 176.08 4.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.2 m -156.03 169.7 23.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -156.24 132.48 3.34 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.539 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.8 t -167.39 141.87 3.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.7 -140.02 4.27 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.536 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 174.83 -177.93 46.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.439 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.48 -177.03 36.81 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.502 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -87.37 159.95 18.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 164.14 60.94 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.477 HG23 ' HB2' ' A' ' 124' ' ' ARG . 6.1 p -63.57 140.98 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -150.46 -79.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.96 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.03 -19.73 8.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.17 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 138.99 -178.59 19.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -161.16 158.94 28.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -95.08 155.9 16.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 149' ' ' LEU . 2.8 tp -139.43 105.21 5.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 79' ' ' VAL . 3.0 tp -93.82 116.5 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 3.8 t -97.67 134.3 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.414 ' HA ' HG23 ' A' ' 117' ' ' THR . 2.8 m -127.89 170.76 12.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 61.98 47.79 5.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.915 HD12 HG21 ' A' ' 86' ' ' VAL . 4.3 mm? -89.78 179.58 5.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -124.59 175.05 7.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -85.16 11.34 10.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.28 -42.34 2.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.469 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.915 HG21 HD12 ' A' ' 82' ' ' LEU . 1.2 m -63.94 128.09 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.5 t -109.72 155.6 21.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.05 -57.27 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.37 -46.22 62.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -53.12 -45.95 68.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.697 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.6 mm -70.49 -38.7 74.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.197 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.608 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 13.3 tp60 -53.52 -55.23 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -69.45 -40.37 77.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.948 HD13 HD21 ' A' ' 140' ' ' LEU . 20.0 mt -67.29 -11.8 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.695 ' C ' HD22 ' A' ' 101' ' ' LEU . 8.1 m-85 -125.67 0.24 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -103.74 -52.01 3.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.491 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 31.4 mm-40 -49.9 -24.67 2.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 0.9 OUTLIER -55.32 -27.67 48.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.845 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 155.98 -80.52 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.435 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.74 122.67 35.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.738 0.304 . . . . 0.0 111.111 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.741 HD11 ' CG2' ' A' ' 120' ' ' VAL . 40.7 tp -134.76 119.39 18.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.85 -46.66 77.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.729 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.15 153.51 1.61 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.916 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.608 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -144.36 105.05 4.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -131.17 121.02 24.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.667 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.6 p -84.75 144.31 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -78.36 125.97 30.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -118.4 139.28 51.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.91 -173.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.864 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -94.13 19.03 9.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.0 m -117.77 -27.63 6.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 120.48 23.75 2.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.446 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -136.85 140.16 42.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.62 114.43 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -28.74 16.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 125.92 31.96 0.78 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.3 m -161.11 146.33 14.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.066 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.667 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.86 159.74 40.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -132.51 128.0 36.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.834 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.741 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.32 141.29 26.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -115.38 139.46 49.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.522 ' CE1' HD22 ' A' ' 77' ' ' LEU . 36.3 m-85 -111.51 153.6 25.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -84.46 -13.41 52.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.477 ' HB2' HG23 ' A' ' 71' ' ' VAL . 1.3 ptm180 -142.13 172.58 12.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.836 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 16.3 ttm-85 -91.91 -36.7 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.425 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -51.0 -49.01 61.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.208 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -44.19 85.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.595 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.62 -55.03 36.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.029 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -60.35 -34.17 73.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.758 ' CD ' HG12 ' B' ' 104' ' ' VAL . 20.0 mmtt -59.87 -73.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -58.15 -26.49 62.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.427 ' HA ' HG21 ' A' ' 147' ' ' ILE . 12.2 ttp -62.1 -56.5 18.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -15.21 60.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.645 ' CD ' HG21 ' B' ' 104' ' ' VAL . 23.4 mm100 -89.91 -17.01 28.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.538 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.7 m-85 -117.22 -15.35 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -53.38 110.96 0.62 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 61.47 19.73 58.11 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.422 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.442 HG22 ' HD2' ' A' ' 139' ' ' PRO . 1.2 t -105.11 145.23 30.35 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-O 121.587 0.708 . . . . 0.0 111.085 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.585 ' HG2' ' HB1' ' B' ' 110' ' ' ALA . 52.7 Cg_endo -69.85 157.5 60.01 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.672 2.248 . . . . 0.0 112.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.948 HD21 HD13 ' A' ' 94' ' ' LEU . 1.6 tm? -134.76 81.56 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 5.4 t0 73.07 7.62 5.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.78 33.91 0.67 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.52 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.57 115.32 1.03 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.816 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 137.98 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.245 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.484 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -137.94 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.25 120.44 25.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.538 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.6 138.86 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -133.17 117.38 17.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.758 ' HA ' HD12 ' A' ' 77' ' ' LEU . 0.3 OUTLIER -67.38 136.18 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.968 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.94 135.86 62.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -70.27 104.66 2.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 5.9 t -70.98 -169.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.844 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -74.5 -10.53 59.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.941 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.6 pp -119.73 25.26 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.36 36.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.64 175.35 7.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -130.27 100.05 5.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 30.3 t60 -127.6 165.37 20.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.804 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -149.71 178.22 9.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -104.28 166.55 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -115.99 -26.89 7.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.814 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -52.03 142.65 15.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.7 t60 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.807 -179.884 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 CA-C-O 121.457 0.476 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 108.33 2.05 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.374 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 36.9 mt -98.16 136.47 38.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.46 88.97 1.31 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.47 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 79.8 p -151.99 134.31 15.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.758 HG12 ' CD ' ' A' ' 130' ' ' LYS . 13.6 m -62.35 -177.85 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.649 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -98.26 -23.48 15.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.888 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.649 ' C ' ' O ' ' B' ' 105' ' ' TRP . 45.4 m -12.69 108.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -114.42 17.68 17.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -87.52 145.05 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.47 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -50.91 -88.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.429 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.613 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -59.71 115.95 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.182 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -163.49 151.94 13.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -156.39 157.68 31.16 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.594 0.712 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 161.88 44.19 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.7 2.267 . . . . 0.0 112.37 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -174.74 112.63 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.863 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 p -74.48 172.81 11.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . 0.472 ' CB ' ' CD ' ' B' ' 117' ' ' PRO . 0.0 OUTLIER -174.9 -61.8 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.721 0.772 . . . . 0.0 110.971 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.472 ' CD ' ' CB ' ' B' ' 116' ' ' SER . 54.5 Cg_endo -69.71 158.86 55.57 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.618 2.212 . . . . 0.0 112.392 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -168.14 172.4 8.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 ttm180 -136.37 166.67 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -137.42 107.89 6.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -142.29 152.8 23.98 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.436 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -61.14 126.64 40.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 17.8 mmtm -143.54 167.53 22.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.818 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 14.6 p -78.53 149.15 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.026 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.19 121.16 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.178 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -89.54 101.1 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 4.1 pp -87.52 159.58 18.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -108.02 160.34 27.27 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.84 167.71 23.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.713 2.275 . . . . 0.0 112.401 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 167.76 23.47 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.727 2.285 . . . . 0.0 112.372 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 116.95 4.8 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.731 2.287 . . . . 0.0 112.326 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 52.3 m -113.47 110.94 21.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -136.09 112.01 9.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -52.69 145.89 11.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -97.87 137.41 20.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.643 0.735 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 156.35 63.39 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.626 2.217 . . . . 0.0 112.383 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -101.11 140.25 35.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.735 0.302 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -166.95 163.32 16.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.5 p -132.29 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.944 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.426 ' O ' HG23 ' A' ' 44' ' ' THR . 15.2 mmt -140.05 178.49 7.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 43' ' ' MET . 0.9 OUTLIER -157.36 168.76 26.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.34 -147.91 11.01 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.15 159.4 21.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -148.33 160.02 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -140.31 146.39 38.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.809 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 4.9 mmt -112.56 173.12 6.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.95 60.84 0.25 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.2 142.93 31.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 110.873 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.95 160.56 45.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -25.49 28.83 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.827 2.351 . . . . 0.0 112.259 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 55.96 43.54 27.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -72.01 94.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -132.25 124.56 29.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -148.61 164.59 33.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -175.01 165.67 3.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -100.85 36.04 2.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mt -58.71 179.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -142.21 147.87 37.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -144.49 127.71 16.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.3 p -171.76 137.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.18 123.64 4.26 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 22.5 m -149.6 149.88 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 152.86 164.28 12.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.96 152.25 25.38 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.16 -120.83 0.62 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.448 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -116.73 164.53 14.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.943 0.402 . . . . 0.0 110.808 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 141.48 65.55 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.512 HG21 ' HB2' ' A' ' 126' ' ' ALA . 3.9 t -87.1 113.5 24.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -123.61 -78.75 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.006 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.524 ' CG2' HD13 ' A' ' 154' ' ' ILE . 7.7 t -126.75 -3.17 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.234 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.33 -175.0 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.412 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HB2' ' HE ' ' A' ' 125' ' ' ARG . . . -173.94 172.26 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 0.0 111.133 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.12 150.78 22.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.861 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.709 HD13 ' HB1' ' A' ' 128' ' ' ALA . 3.9 tp -133.21 110.56 10.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' ' 79' ' ' VAL . 2.6 tp -97.91 117.69 32.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.827 HG12 HD21 ' A' ' 82' ' ' LEU . 7.8 t -101.58 119.92 50.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.539 ' HA ' HG23 ' A' ' 117' ' ' THR . 0.9 OUTLIER -109.45 168.33 9.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 51.4 t30 60.31 56.64 3.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.827 HD21 HG12 ' A' ' 79' ' ' VAL . 3.9 mm? -95.67 179.53 5.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.45 171.44 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.83 10.94 19.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.9 -39.02 1.92 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.814 ' HB ' HD11 ' A' ' 91' ' ' ILE . 1.4 m -62.85 120.64 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.781 0.324 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 93.4 p -100.79 152.26 20.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.67 -45.62 3.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.7 -52.17 65.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.204 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -53.32 -42.68 66.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.814 HD11 ' HB ' ' A' ' 86' ' ' VAL . 7.9 mm -69.76 -39.04 77.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.437 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -58.38 -50.47 73.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.823 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -67.73 -35.44 78.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.118 HD13 HD21 ' A' ' 140' ' ' LEU . 32.9 mt -78.58 -11.51 59.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.441 ' C ' HD12 ' A' ' 101' ' ' LEU . 5.4 m-85 -120.33 1.25 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.437 ' CB ' ' O ' ' A' ' 92' ' ' GLN . . . -110.41 -45.23 3.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 57.9 mm-40 -45.35 -31.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 24.1 m-85 -53.62 -55.35 26.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -170.8 -67.41 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.426 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.72 147.96 47.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.332 . . . . 0.0 111.195 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.689 HD11 ' HB2' ' A' ' 104' ' ' ALA . 2.7 tt -144.68 108.97 4.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -62.45 -49.89 73.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.805 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.34 119.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.689 ' HB2' HD11 ' A' ' 101' ' ' LEU . . . -117.67 99.07 6.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -132.71 126.08 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 118' ' ' ALA . 4.1 p -85.44 144.5 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.474 ' CB ' HD21 ' A' ' 115' ' ' LEU . 1.9 m-20 -76.38 131.15 38.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.791 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -125.19 131.98 53.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.981 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -59.77 -174.29 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -95.55 25.36 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.4 m -115.76 -28.97 6.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.791 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.34 23.66 2.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.408 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -147.06 155.0 41.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.76 121.97 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.474 HD21 ' CB ' ' A' ' 107' ' ' ASP . 0.3 OUTLIER -58.86 -25.85 63.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.01 30.51 0.87 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.439 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 80' ' ' SER . 2.7 m -161.99 146.36 12.56 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.836 0.351 . . . . 0.0 111.039 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -134.02 150.69 51.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -119.89 134.51 55.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.28 143.1 26.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -123.02 134.1 54.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.439 ' CE1' HD22 ' A' ' 77' ' ' LEU . 35.8 m-85 -112.77 153.22 28.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.988 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -88.8 -10.74 47.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.55 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 11.6 ptp180 -147.97 135.33 20.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.576 ' HD2' HD21 ' A' ' 149' ' ' LEU . 8.4 tpp85 -61.74 -17.25 55.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.0 -50.66 71.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.131 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -70.15 -42.42 72.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.709 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.46 -55.1 35.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -60.05 -37.15 79.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.962 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.55 ' CD ' HG12 ' B' ' 104' ' ' VAL . 35.8 mmtt -57.96 -69.59 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -63.1 -20.48 65.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.677 ' HE1' HD13 ' A' ' 149' ' ' LEU . 7.5 ttm -63.03 -57.18 11.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.08 -23.19 59.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -78.88 -27.86 44.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.54 ' CB ' HD13 ' A' ' 147' ' ' ILE . 19.8 m-85 -106.62 -10.16 16.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.28 108.2 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 58.61 18.45 37.95 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.376 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.484 HG21 ' H ' ' B' ' 112' ' ' ARG . 1.2 t -98.64 146.62 31.93 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.55 0.69 . . . . 0.0 111.147 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.451 ' HD2' HG22 ' A' ' 138' ' ' VAL . 52.9 Cg_endo -69.87 157.38 60.37 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.118 HD21 HD13 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -132.93 79.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.1 t0 70.65 11.46 7.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 123.73 37.96 0.56 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.509 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -169.03 112.99 0.52 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.968 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.7 Cg_endo -69.68 138.37 37.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.637 2.225 . . . . 0.0 112.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.607 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -137.18 158.0 45.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.59 117.14 21.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.828 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.721 HG13 HG22 ' A' ' 79' ' ' VAL . 1.9 mp -93.67 136.44 25.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.073 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 51.7 tp60 -131.89 135.35 46.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.677 HD13 ' HE1' ' A' ' 132' ' ' MET . 13.6 tp -73.81 129.08 37.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 97.7 t -127.13 135.13 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.081 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.434 ' HB1' ' CB ' ' A' ' 155' ' ' ASP . . . -63.98 134.69 55.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 8.6 t -97.59 -170.72 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -64.83 -15.43 61.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . 0.524 HD13 ' CG2' ' A' ' 73' ' ' THR . 2.7 pp -96.77 -10.47 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.434 ' CB ' ' HB1' ' A' ' 151' ' ' ALA . 34.3 m-20 -94.23 39.53 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.54 -32.05 57.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.817 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 61.7 mt-10 -141.68 169.74 17.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -119.65 49.68 1.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -125.8 169.36 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -145.23 171.58 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 63.5 m80 -115.93 26.79 9.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 54.27 43.94 29.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.445 0 CA-C-O 121.532 0.518 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 153.96 68.36 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.744 2.296 . . . . 0.0 112.362 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 mt -104.02 151.61 23.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.96 89.83 0.6 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 57.8 p -141.83 148.79 39.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.986 0.422 . . . . 0.0 110.772 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' B' ' 105' ' ' TRP . 3.6 m -62.52 -16.54 16.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.161 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.565 ' HB3' ' O ' ' B' ' 104' ' ' VAL . 0.1 OUTLIER 71.96 -17.99 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.5 ' H ' ' C ' ' B' ' 104' ' ' VAL . 16.7 p -31.4 107.47 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.907 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -136.98 77.37 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.82 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.671 HD22 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -133.47 150.83 51.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.576 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -22.56 -83.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.492 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -107.91 126.78 53.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.329 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . 0.449 ' HB3' ' HG ' ' B' ' 108' ' ' LEU . 0.0 OUTLIER -168.05 172.16 9.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.484 ' H ' HG21 ' A' ' 138' ' ' VAL . 0.0 OUTLIER -179.56 155.2 0.75 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.549 0.69 . . . . 0.0 110.886 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 171.31 14.59 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 3.9 p -123.63 -39.14 2.45 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.1 168.29 26.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 2.9 p -128.48 69.55 79.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.617 0.722 . . . . 0.0 110.855 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -171.2 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.658 2.238 . . . . 0.0 112.373 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -166.45 147.74 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 4.6 mmm180 -150.83 178.86 8.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -141.17 165.87 26.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.68 21.49 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.408 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -103.93 -153.54 23.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -145.94 168.6 20.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.779 0.323 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 21.9 t -139.58 149.82 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -107.99 -176.51 3.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.207 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -120.82 179.94 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.482 HD12 ' N ' ' B' ' 128' ' ' GLN . 4.3 pp -128.83 -176.16 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . 0.482 ' N ' HD12 ' B' ' 127' ' ' LEU . 8.3 pt20 -147.41 157.44 45.18 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.605 0.717 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.67 167.71 23.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.618 2.212 . . . . 0.0 112.419 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.72 167.69 23.67 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.723 2.282 . . . . 0.0 112.401 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 157.2 61.26 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.669 2.246 . . . . 0.0 112.426 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 48.2 p -131.01 131.28 44.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -140.95 117.53 10.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.24 132.35 40.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.109 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -78.65 136.33 59.42 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.69 149.93 67.96 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.612 2.208 . . . . 0.0 112.49 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -96.86 142.54 28.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.874 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.45 177.2 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.6 m -125.85 -178.23 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.877 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 23.2 ptp -167.39 168.26 13.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -163.84 166.1 22.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 137.13 149.13 5.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.54 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 153.49 135.0 2.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.411 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.52 150.56 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.706 0.288 . . . . 0.0 110.96 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -176.1 153.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 5.5 tpp -176.36 140.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.19 59.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.491 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -126.12 147.4 49.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -84.9 160.58 55.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.79 -47.92 0.82 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.741 2.294 . . . . 0.0 112.35 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -165.65 106.45 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -62.27 165.45 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.62 162.48 13.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -152.85 168.54 25.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -178.92 161.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -174.16 93.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.98 172.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.955 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -169.3 146.57 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -168.25 145.77 4.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.2 t -175.23 165.48 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 137.94 126.09 2.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.546 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 2.1 t -175.18 151.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.817 0.341 . . . . 0.0 110.929 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.66 153.96 8.32 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.516 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 155.15 143.24 3.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.525 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -111.87 -102.58 2.64 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.568 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -58.37 -179.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.919 0.39 . . . . 0.0 110.837 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -129.6 -102.95 1.04 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.417 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.594 HG23 ' HB2' ' A' ' 124' ' ' ARG . 7.5 p -76.48 138.1 21.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.84 0.352 . . . . 0.0 111.12 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -150.59 -76.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -33.59 3.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 160.45 173.35 28.9 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.08 156.03 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 150' ' ' VAL . 6.4 mtmt -100.91 149.81 23.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.687 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.5 tp -132.87 103.46 6.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tp -91.68 111.92 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.75 HG12 HD21 ' A' ' 82' ' ' LEU . 11.2 t -95.34 139.11 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.424 ' HA ' HG23 ' A' ' 117' ' ' THR . 42.1 m -130.22 175.63 8.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 63.4 t30 63.83 42.08 6.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.964 HD12 HG21 ' A' ' 86' ' ' VAL . 4.5 mm? -90.87 -176.69 4.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.26 2.98 16.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.7 -45.03 5.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.964 HG21 HD12 ' A' ' 82' ' ' LEU . 0.1 OUTLIER -62.58 144.42 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.787 0.327 . . . . 0.0 111.198 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.5 t -115.93 145.24 43.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.795 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -44.25 -49.77 9.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.74 -43.56 94.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -53.74 -45.08 70.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.9 mm -69.95 -39.71 77.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.768 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 2.0 tt0 -55.54 -56.05 24.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.96 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -66.62 -37.75 85.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.075 HD13 HD21 ' A' ' 140' ' ' LEU . 24.8 mt -71.97 -12.45 61.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.722 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.8 m-85 -122.79 0.92 9.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.514 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -108.92 -50.77 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.077 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' HB2' ' CZ2' ' B' ' 105' ' ' TRP . 0.0 OUTLIER -48.31 -26.85 2.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' CD2' ' HB2' ' A' ' 131' ' ' ALA . 1.2 m-85 -52.55 -43.2 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 173.26 -76.51 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.526 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.82 122.08 28.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.745 0.307 . . . . 0.0 111.152 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.807 HD11 ' CG2' ' A' ' 120' ' ' VAL . 42.2 tp -133.46 127.57 33.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -73.85 -47.5 37.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.32 132.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.825 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.768 ' HB3' ' HA ' ' A' ' 92' ' ' GLN . . . -124.65 101.45 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.121 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -126.81 124.79 40.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.139 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.0 p -82.27 142.0 14.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.438 ' HB3' HD21 ' A' ' 115' ' ' LEU . 5.0 m-20 -73.22 131.15 41.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -127.21 131.79 50.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -59.47 -172.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -96.79 26.26 4.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.7 m -119.82 -30.39 4.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.813 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 121.55 23.44 2.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.1 mtt85 -143.0 138.66 30.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.897 0.379 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.89 116.83 3.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 107' ' ' ASP . 0.2 OUTLIER -52.29 -28.73 20.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.4 31.77 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.387 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.424 HG23 ' HA ' ' A' ' 80' ' ' SER . 4.0 m -159.89 147.07 16.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 111.117 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.621 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -128.14 150.2 50.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.158 179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.51 122.93 34.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.807 ' CG2' HD11 ' A' ' 101' ' ' LEU . 1.0 OUTLIER -142.62 141.93 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -120.79 141.03 50.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.508 ' CE1' HD22 ' A' ' 77' ' ' LEU . 29.7 m-85 -109.72 151.01 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -75.83 -12.39 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.594 ' HB2' HG23 ' A' ' 71' ' ' VAL . 8.5 ptp180 -143.48 176.16 9.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -93.91 -38.75 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.976 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.747 ' HA ' HD23 ' A' ' 129' ' ' LEU . . . -50.46 -53.69 27.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 60.2 t0 -58.28 -46.57 85.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.687 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -55.05 -51.38 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.747 HD23 ' HA ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -58.79 -34.72 71.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.47 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 22.2 mmtt -62.32 -74.49 0.09 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 98' ' ' PHE . . . -55.53 -25.05 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.516 ' HA ' HG21 ' A' ' 147' ' ' ILE . 9.4 ttp -64.48 -56.37 14.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -15.29 61.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.667 ' CD ' HG21 ' B' ' 104' ' ' VAL . 28.7 mm100 -89.57 -22.22 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.551 ' HB3' ' HE3' ' A' ' 145' ' ' MET . 20.8 m-85 -112.49 -7.75 13.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -53.82 108.04 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.81 17.2 41.85 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.385 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.7 OUTLIER -96.37 146.73 31.81 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 111.114 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 54.4 Cg_endo -69.79 156.93 62.0 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.589 2.193 . . . . 0.0 112.461 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 1.075 HD21 HD13 ' A' ' 94' ' ' LEU . 1.5 tm? -136.16 85.22 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 6.5 t0 73.0 7.94 5.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 122.94 34.24 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 143' ' ' ARG . 0.0 OUTLIER -163.1 117.89 1.15 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.599 0.714 . . . . 0.0 110.895 -179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 137.54 35.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 135' ' ' TYR . 0.0 OUTLIER -135.25 153.97 51.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.875 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.16 118.31 28.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.662 HG13 HG22 ' A' ' 79' ' ' VAL . 1.8 mp -93.98 132.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -126.11 135.3 51.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 17.1 tp -77.1 135.51 38.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.405 ' HB ' ' HB3' ' A' ' 76' ' ' LYS . 65.9 t -126.68 135.39 63.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.05 108.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 3.2 p -58.59 -174.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.828 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . 0.48 ' NE2' ' H ' ' A' ' 153' ' ' GLN . 1.6 pm0 -102.09 -5.24 24.74 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -109.42 21.61 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -101.35 57.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 156' ' ' LEU . 3.8 mm? -103.17 176.87 5.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -105.16 30.94 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -151.63 175.79 12.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 13.7 t60 61.37 53.32 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.836 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -123.14 26.47 8.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -115.94 38.15 3.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -76.9 -55.86 5.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.794 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 121.415 0.453 . . . . 0.0 112.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 107.5 1.89 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.62 2.213 . . . . 0.0 112.369 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.75 145.97 50.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -103.02 90.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.413 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.65 158.97 40.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.868 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.667 HG21 ' CD ' ' A' ' 134' ' ' GLN . 4.0 m -113.34 -179.16 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.501 ' CZ2' ' HB2' ' A' ' 97' ' ' GLU . 0.4 OUTLIER -88.3 -21.09 24.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.497 ' C ' ' O ' ' B' ' 105' ' ' TRP . 0.4 OUTLIER -30.02 108.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -139.97 73.19 1.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.696 HD13 HD22 ' A' ' 140' ' ' LEU . 0.3 OUTLIER -126.22 148.59 49.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -33.14 -83.2 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.501 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.569 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -81.01 116.83 21.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.11 147.76 8.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.974 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 16.8 mtt-85 -52.44 160.47 1.31 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.528 0.68 . . . . 0.0 110.915 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 160.11 50.94 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.702 2.268 . . . . 0.0 112.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 21.8 p -137.53 127.95 26.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 28.3 m -109.85 84.09 1.87 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 13.1 p -173.93 73.56 0.35 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 159.48 53.22 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.665 2.243 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -147.95 -178.42 6.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -128.05 114.6 17.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -119.98 156.79 30.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -112.61 156.51 15.55 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.599 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . 91.44 138.7 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.6 144.85 26.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.77 0.319 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -143.65 156.67 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -170.18 127.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 28.6 mtp85 -157.48 109.74 2.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.9 pp -140.41 148.09 40.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -163.12 70.49 1.93 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.606 0.717 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 167.78 23.51 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.285 . . . . 0.0 112.288 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 167.77 23.47 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.76 2.307 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.89 145.26 55.86 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.676 2.25 . . . . 0.0 112.277 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 24.4 m -81.48 122.56 27.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.255 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -130.84 156.18 45.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . 63.32 39.72 9.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -51.7 156.86 2.14 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.618 0.723 . . . . 0.0 110.929 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 130.34 19.05 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.678 2.252 . . . . 0.0 112.236 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -114.63 143.44 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.134 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.862 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 26.7 mmm . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.783 0.325 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -174.1 169.6 3.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -160.59 -178.33 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -174.92 161.08 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.835 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.7 m -160.18 150.88 18.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -162.24 -176.07 33.93 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.504 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -154.52 -176.62 27.01 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.1 tm0? -175.16 130.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 0.0 110.861 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -174.76 144.69 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.818 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.23 167.03 3.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.99 108.57 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.567 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -108.45 147.62 31.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -52.42 160.6 1.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -85.65 0.0 OUTLIER 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 112.394 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -176.02 112.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -93.84 167.95 11.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -95.63 164.75 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -159.08 165.12 34.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -175.69 175.99 1.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -152.98 110.41 3.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.02 172.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -122.46 -178.51 3.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -175.03 145.07 0.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.6 m -175.07 174.04 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.27 159.45 24.75 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.461 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 41.1 t -105.49 -74.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.412 . . . . 0.0 110.886 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.7 174.5 23.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -158.01 -179.19 32.71 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.94 -116.52 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.73 24.75 13.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.913 0.387 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.41 -42.04 28.78 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.456 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.537 HG23 ' H ' ' A' ' 125' ' ' ARG . 7.7 p -100.82 140.28 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 111.119 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.58 -79.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.3 -4.46 6.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 137.82 -175.47 21.27 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -169.42 174.54 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.87 146.09 29.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.651 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.7 tp -132.34 109.09 9.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 79' ' ' VAL . 1.9 tp -97.24 116.82 30.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.712 HG12 HD21 ' A' ' 82' ' ' LEU . 1.8 t -93.32 130.98 41.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.204 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 m -123.71 165.9 16.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 39.8 t30 62.65 47.6 4.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.739 HD12 HG21 ' A' ' 86' ' ' VAL . 4.1 mm? -89.43 179.82 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -119.8 173.45 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.45 12.51 12.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.25 -39.52 1.94 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.795 ' HB ' HD11 ' A' ' 91' ' ' ILE . 3.1 m -63.54 121.62 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 111.192 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.9 t -103.73 155.21 18.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.751 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -44.44 -36.97 3.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.94 69.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -54.69 -43.13 72.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.795 HD11 ' HB ' ' A' ' 86' ' ' VAL . 4.3 mm -73.1 -40.08 57.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.658 ' HA ' ' HB3' ' A' ' 104' ' ' ALA . 0.0 OUTLIER -55.21 -48.15 74.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -74.45 -39.44 62.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.874 HD13 HD21 ' A' ' 140' ' ' LEU . 17.9 mt -71.41 -9.55 58.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.61 ' C ' HD22 ' A' ' 101' ' ' LEU . 5.1 m-85 -122.49 -6.43 8.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -102.65 -52.46 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.105 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.436 ' HB3' ' NE1' ' B' ' 105' ' ' TRP . 50.2 mm-40 -48.68 -25.8 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 131' ' ' ALA . 1.5 m-85 -52.2 -52.63 51.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -177.34 -72.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.423 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.19 115.87 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.831 HD11 ' CG2' ' A' ' 120' ' ' VAL . 30.6 tp -121.02 126.44 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.21 -47.57 42.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 105' ' ' ALA . 0.3 OUTLIER -179.23 124.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.968 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.759 ' HB2' HD21 ' A' ' 101' ' ' LEU . . . -117.34 119.3 34.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' A' ' 103' ' ' LYS . . . -146.64 121.62 10.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 118' ' ' ALA . 6.9 p -83.03 145.04 9.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -80.13 129.49 34.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -119.81 138.23 53.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.87 -174.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.957 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.4 27.45 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -118.14 -29.56 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 122.24 27.55 1.64 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.516 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.0 mmt85 -152.31 157.98 42.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.83 0.348 . . . . 0.0 110.915 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.35 124.6 23.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.08 -26.81 69.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.97 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 126.2 30.79 0.83 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.447 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.6 m -160.02 146.83 16.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.904 0.383 . . . . 0.0 111.081 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 79' ' ' VAL . . . -131.89 157.8 43.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -133.96 124.52 26.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.831 ' CG2' HD11 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -143.23 142.68 25.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.192 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -114.86 140.89 48.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.479 ' CE1' HD22 ' A' ' 77' ' ' LEU . 53.7 m-85 -112.75 155.74 24.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -91.08 -13.96 32.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -144.4 145.14 31.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.537 ' H ' HG23 ' A' ' 71' ' ' VAL . 14.3 tpp85 -66.3 -35.26 79.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.83 -48.01 60.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -70.21 -47.51 61.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.651 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -52.99 -55.79 20.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.3 OUTLIER -61.16 -34.95 75.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.741 ' CD ' HG12 ' B' ' 104' ' ' VAL . 0.8 OUTLIER -57.17 -71.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.626 ' HB2' ' CE2' ' A' ' 98' ' ' PHE . . . -61.97 -24.08 66.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.439 ' HA ' HG21 ' A' ' 147' ' ' ILE . 8.5 ttp -60.39 -63.51 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -68.83 -23.94 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.839 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.651 ' CD ' HG21 ' B' ' 104' ' ' VAL . 24.6 mm100 -78.31 -22.77 47.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.856 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.557 ' CB ' HD13 ' A' ' 147' ' ' ILE . 21.3 m-30 -113.3 -0.27 14.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.022 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -65.73 109.71 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.64 17.15 48.06 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.426 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.692 HG22 ' HD2' ' A' ' 139' ' ' PRO . 0.5 OUTLIER -100.71 141.9 23.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.653 0.739 . . . . 0.0 111.087 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.692 ' HD2' HG22 ' A' ' 138' ' ' VAL . 53.8 Cg_endo -69.78 155.79 64.96 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.738 2.292 . . . . 0.0 112.385 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.874 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -126.72 74.98 1.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 13.1 t70 69.59 14.52 8.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.14 37.95 0.51 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.11 109.73 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.643 0.735 . . . . 0.0 110.91 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.72 134.6 28.46 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.703 2.268 . . . . 0.0 112.237 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.671 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -135.21 158.94 43.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.57 120.33 20.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.557 HD13 ' CB ' ' A' ' 135' ' ' TYR . 1.8 mp -94.24 139.22 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.071 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 53.8 tp60 -127.73 138.26 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.427 ' HA ' HD12 ' A' ' 77' ' ' LEU . 16.9 tp -80.0 127.24 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 86.7 t -127.52 136.96 59.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.525 ' HB1' ' OD2' ' A' ' 155' ' ' ASP . . . -74.04 130.72 40.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 35.9 t -95.48 -77.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.831 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -157.99 -37.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.2 pp -102.87 28.02 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.173 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.525 ' OD2' ' HB1' ' A' ' 151' ' ' ALA . 2.6 p-10 -87.69 50.23 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.882 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -100.6 177.77 4.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -84.89 54.28 3.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.797 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -85.23 165.52 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -126.16 154.47 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -114.91 130.52 56.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -112.73 -26.03 8.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -52.1 136.93 28.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 65.7 t60 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 121.347 0.415 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 136.79 34.07 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.708 2.272 . . . . 0.0 112.352 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 11.6 mt -111.56 153.83 25.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.51 107.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 73.7 m -152.86 157.31 40.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.371 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.741 HG12 ' CD ' ' A' ' 130' ' ' LYS . 5.5 m -57.79 -178.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.129 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' B' ' 106' ' ' SER . 0.0 OUTLIER -91.36 -18.11 24.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.516 ' C ' ' O ' ' B' ' 105' ' ' TRP . 1.4 t -28.48 111.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 23.89 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.64 HD22 ' CD2' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -87.95 148.94 24.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.813 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.441 ' N ' HD12 ' B' ' 108' ' ' LEU . . . -37.83 -83.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.581 ' HB1' ' HG2' ' A' ' 139' ' ' PRO . . . -87.24 120.89 28.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.96 160.78 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . 0.41 ' H ' HG21 ' A' ' 138' ' ' VAL . 0.0 OUTLIER 179.6 156.12 0.69 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.485 0.66 . . . . 0.0 110.963 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 154.88 67.16 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.622 2.215 . . . . 0.0 112.357 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 2.4 p -102.41 133.74 46.86 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 21.5 p -57.09 146.25 28.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 3.8 m -157.98 69.49 3.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.709 0.766 . . . . 0.0 110.914 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -171.37 0.46 Allowed 'Trans proline' 0 C--N 1.34 0.132 0 C-N-CA 122.753 2.302 . . . . 0.0 112.378 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -107.01 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -140.37 136.26 32.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -118.68 152.85 35.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -129.11 133.53 7.6 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.37 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -112.9 108.18 2.12 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -117.85 132.03 56.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 10.8 p -174.4 151.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.084 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -156.94 123.42 4.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -145.58 134.81 22.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . 0.428 ' O ' HD12 ' B' ' 127' ' ' LEU . 3.3 pp -172.87 127.9 0.48 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -178.55 157.44 1.01 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.633 0.73 . . . . 0.0 110.836 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.6 167.67 23.58 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 2.267 . . . . 0.0 112.338 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 167.75 23.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.656 2.237 . . . . 0.0 112.297 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 157.33 60.74 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.669 2.246 . . . . 0.0 112.279 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 4.9 t -166.26 120.11 1.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.079 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -112.08 157.97 20.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -148.28 112.82 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.052 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -115.18 72.05 3.11 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.645 0.736 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.56 67.63 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.44 122.41 18.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.057 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.2 mtm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.673 0.273 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -164.16 161.24 22.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -158.8 153.0 23.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.2 ttp -95.26 173.72 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.805 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.4 p -107.17 177.83 4.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 152.81 141.95 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.472 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -170.26 -175.92 39.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.536 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -127.55 174.06 9.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.706 0.288 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -126.22 147.48 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.7 tpp -155.96 156.09 33.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 176.81 101.31 0.14 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.39 150.26 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.795 0.331 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.54 160.19 63.91 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.518 0.675 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -32.11 18.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.647 2.232 . . . . 0.0 112.283 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.4 t0 62.34 48.22 4.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -67.32 132.82 48.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -76.72 172.84 12.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -162.16 139.47 8.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -136.41 8.99 3.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 52.27 35.93 18.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mt -56.2 118.7 4.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -153.05 176.33 12.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -172.54 179.54 2.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.44 165.33 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 112.32 159.41 14.59 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.502 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 7.1 t -138.11 -67.84 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 64.65 158.32 0.3 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 166.81 174.59 36.21 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.471 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 175.15 161.81 25.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -153.75 175.86 12.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -168.4 27.26 0.14 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.531 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.2 p -57.11 138.53 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.175 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.52 -78.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.8 t -120.73 -18.68 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.122 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 148.97 177.99 23.62 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.574 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -157.54 166.54 32.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 111.09 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -101.01 148.73 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.911 HD13 ' HB1' ' A' ' 128' ' ' ALA . 2.1 tp -132.94 106.74 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.971 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tp -96.05 114.48 26.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.786 HG12 HD21 ' A' ' 82' ' ' LEU . 2.3 t -94.62 131.83 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 117' ' ' THR . 1.4 m -124.22 168.47 12.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 42.1 t30 61.53 47.76 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.786 HD21 HG12 ' A' ' 79' ' ' VAL . 4.4 mm? -90.8 175.38 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -126.79 161.21 28.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -5.26 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.19 -18.15 72.52 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.52 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' CG1' HD11 ' A' ' 91' ' ' ILE . 0.1 OUTLIER -99.11 147.06 7.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.768 0.318 . . . . 0.0 111.187 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.7 t -121.92 158.4 29.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 -56.39 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.856 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.91 58.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.072 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -53.57 -43.29 68.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.824 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.407 HD11 ' CG1' ' A' ' 86' ' ' VAL . 6.5 mm -71.78 -40.08 69.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.782 ' HG2' ' HB3' ' A' ' 104' ' ' ALA . 11.5 mt-30 -53.28 -54.9 29.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -67.95 -40.21 83.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.848 HD13 HD21 ' A' ' 140' ' ' LEU . 18.8 mt -70.06 -10.5 58.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.714 ' C ' HD22 ' A' ' 101' ' ' LEU . 7.0 m-85 -125.52 1.36 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.469 ' HA ' ' HB2' ' A' ' 101' ' ' LEU . . . -105.0 -47.88 3.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.122 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 105' ' ' TRP . 38.4 mm-40 -49.58 -26.58 3.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 131' ' ' ALA . 8.4 m-85 -54.2 -29.51 46.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 153.32 -80.65 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.97 122.27 38.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.755 HD11 HG23 ' A' ' 120' ' ' VAL . 50.2 tp -133.62 109.17 9.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -55.93 -48.67 75.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.98 158.57 5.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB3' ' HG2' ' A' ' 92' ' ' GLN . . . -151.21 105.59 3.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -134.99 122.24 21.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.671 HG23 ' HB2' ' A' ' 118' ' ' ALA . 7.1 p -84.62 144.37 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -79.01 121.04 24.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -109.77 158.97 17.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.97 0.414 . . . . 0.0 110.901 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.27 14.66 7.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 64.22 24.77 13.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.84 3.29 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 88.82 27.78 23.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 6.1 mtp180 -152.24 112.68 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.7 t -50.97 122.14 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.2 -25.94 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.962 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 127.51 30.18 0.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 80' ' ' SER . 3.8 m -161.67 146.24 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.157 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 106' ' ' VAL . . . -135.17 159.05 42.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.063 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -131.67 127.46 36.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.755 HG23 HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -143.98 142.22 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -117.43 139.13 51.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.528 ' CE1' HD22 ' A' ' 77' ' ' LEU . 46.8 m-85 -112.24 153.08 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.03 -15.67 50.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.948 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.582 ' HG3' ' HB3' ' A' ' 126' ' ' ALA . 4.3 ptm180 -144.41 140.92 29.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -65.01 -20.36 66.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.582 ' HB3' ' HG3' ' A' ' 124' ' ' ARG . . . -62.54 -49.56 74.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.94 -43.73 74.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.964 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.911 ' HB1' HD13 ' A' ' 77' ' ' LEU . . . -53.85 -50.85 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 130' ' ' LYS . 0.4 OUTLIER -66.04 -35.19 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.441 ' N ' ' HG ' ' A' ' 129' ' ' LEU . 40.3 mmtt -56.69 -64.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.834 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.605 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . . . -68.43 -26.38 65.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.083 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.415 ' HB3' ' HA ' ' A' ' 129' ' ' LEU . 11.7 ttp -58.89 -50.12 75.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -78.92 -29.16 44.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -75.21 -18.64 60.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' TYR . . . . . 0.528 ' HB2' HD13 ' A' ' 147' ' ' ILE . 20.8 m-85 -115.42 -10.88 11.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 108.44 0.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 59.7 17.01 40.27 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.479 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.54 140.89 22.82 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 144' ' ' PRO . 53.7 Cg_endo -69.78 157.27 60.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.614 2.209 . . . . 0.0 112.333 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.848 HD21 HD13 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -129.07 74.4 1.58 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 21.3 t0 71.45 14.04 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . 125.03 32.74 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 144' ' ' PRO . 0.0 OUTLIER -162.76 109.4 1.06 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 110.836 -179.835 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 139' ' ' PRO . 53.9 Cg_endo -69.68 135.98 32.01 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.544 ' CE ' HD23 ' A' ' 140' ' ' LEU . 0.0 OUTLIER -134.63 159.09 42.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.45 121.83 24.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ILE . . . . . 0.528 HD13 ' HB2' ' A' ' 135' ' ' TYR . 1.9 mp -94.4 139.31 18.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 52.7 tp60 -128.38 138.33 52.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' A' ' 77' ' ' LEU . 15.8 tp -82.85 131.2 35.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.96 135.75 62.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . 0.74 ' HB1' ' HB3' ' A' ' 155' ' ' ASP . . . -71.24 114.36 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.24 -168.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -75.26 -5.6 45.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ILE . . . . . . . . . . . . . 1.5 pp -116.05 21.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.083 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.74 ' HB3' ' HB1' ' A' ' 151' ' ' ALA . 0.5 OUTLIER -113.77 35.91 3.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.813 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -88.74 170.48 10.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -117.72 118.92 33.4 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -125.77 172.4 9.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -139.76 151.63 45.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 9.8 p-80 -130.76 154.96 47.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' HIS . . . . . . . . . . . . . 3.0 p-80 -115.39 37.71 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -97.8 119.76 36.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 121.451 0.473 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 167.44 24.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.305 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -102.23 152.84 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLY . . . . . . . . . . . . . . . -146.63 115.62 0.8 Allowed Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.559 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' SER . . . . . . . . . . . . . 72.3 m -109.09 156.01 20.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.791 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 105' ' ' TRP . 4.9 m -53.3 -27.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.071 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' TRP . . . . . 0.552 ' HB3' ' O ' ' B' ' 104' ' ' VAL . 0.0 OUTLIER 72.19 -15.66 0.46 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' SER . . . . . 0.529 ' C ' ' O ' ' B' ' 105' ' ' TRP . 8.5 t -27.71 108.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -134.39 78.97 1.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . 0.594 HD13 HD22 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -134.11 149.64 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' GLY . . . . . 0.549 ' C ' ' O ' ' B' ' 108' ' ' LEU . . . -25.59 -85.93 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.57 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.512 ' O ' HD11 ' B' ' 108' ' ' LEU . . . -97.52 116.63 30.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.12 135.35 10.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -152.23 153.31 30.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.555 0.693 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 172.15 13.13 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.38 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 29.7 p -92.75 92.5 7.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' CYS . . . . . . . . . . . . . 62.8 m -51.08 117.35 2.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -157.03 160.19 30.79 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 121.711 0.767 . . . . 0.0 110.886 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 176.88 6.19 Favored 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 62.76 69.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -139.19 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -161.78 165.8 27.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -103.23 158.77 17.39 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.424 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' GLY . . . . . . . . . . . . . . . -131.73 -146.72 5.81 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.439 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -156.32 162.25 40.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 60.2 t -136.2 109.1 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.15 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' ALA . . . . . . . . . . . . . . . -174.7 147.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -145.56 142.33 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 3.8 pp -173.42 136.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -173.85 73.54 0.36 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 167.73 23.49 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 112.22 3.0 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.767 2.311 . . . . 0.0 112.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 157.5 60.15 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.652 2.235 . . . . 0.0 112.373 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 3.2 p -100.65 139.84 35.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.162 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -109.62 157.26 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -163.58 153.12 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.132 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -93.34 137.44 23.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.602 0.715 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.54 65.85 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.643 2.229 . . . . 0.0 112.346 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -122.66 122.47 38.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.909 . . . . . . . . 0 0 . 1 stop_ save_