data_2cs2_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 2cs2 _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 ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -122.92 147.52 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 81' ' ' TYR . 62.1 mt -85.29 124.1 31.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -76.06 -60.95 2.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.508 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -38.26 -39.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 73.7 m-85 -101.49 120.63 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 142.87 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.76 138.25 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -168.96 166.04 11.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -65.62 137.72 57.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 92.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -44.61 -48.48 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.9 p -136.44 162.65 32.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -95.3 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -92.7 -53.56 4.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -59.42 158.28 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -140.53 131.47 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.7 t -62.93 152.38 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -105.34 -20.65 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.3 -30.99 64.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.6 p -122.07 -9.39 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.8 mtp 57.85 45.67 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -131.82 137.7 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 153.89 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.7 mt -103.72 102.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.57 137.47 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -59.31 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.8 -45.11 2.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -55.96 126.93 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.33 145.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -149.92 158.22 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -129.54 162.27 28.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.2 p -135.35 154.63 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -137.43 119.38 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 1.1 ttmp? -67.46 116.6 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 ptm -162.48 165.59 25.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.3 t -99.48 131.29 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.84 126.74 89.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.14 26.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -84.01 -22.89 31.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -133.48 75.97 68.4 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.534 0.683 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.81 37.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 13.8 pt20 -63.61 -41.28 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 14.0 mt -65.08 -48.02 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.23 -131.57 10.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.432 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -64.26 103.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 pt -119.97 175.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -128.31 113.81 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -95.52 173.9 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.412 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 61.0 m95 -136.53 141.26 43.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 12.8 m-85 -147.7 133.91 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 30.0 m80 -53.32 147.68 18.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.97 -35.45 25.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.92 -31.34 62.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -78.8 -33.72 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -59.88 -37.72 80.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.9 -56.22 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -53.95 -45.08 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -99.08 33.63 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.25 -29.2 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -87.13 -50.26 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.69 -45.32 73.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.23 -32.22 73.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.53 1.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.546 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.44 107.88 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -76.31 159.15 80.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -18.53 36.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.298 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.7 pt-20 -64.89 -17.42 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 8.7 m-85 -109.94 129.2 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.0 t -109.2 -175.03 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.09 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.526 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 8.6 t -62.88 -8.5 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -100.72 12.22 37.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.8 mt -92.57 115.7 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -44.61 110.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . 118.05 -37.49 3.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 90.3 t80 -35.81 -59.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.7 t -48.1 -43.08 30.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' GLY . 82.5 mt -64.64 -43.21 94.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 89' ' ' PHE . 53.3 mt -47.46 167.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.62 140.79 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.2 m -39.51 -55.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -43.52 -56.58 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.9 -44.26 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 31.4 mttp -46.69 -64.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.11 -36.4 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.68 -35.75 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.5 mt -81.22 -38.09 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.43 -41.69 98.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -64.37 -24.83 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -87.73 -47.05 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.0 85.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.53 3.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -109.4 141.75 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.12 134.54 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.52 -49.39 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.89 -41.05 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -102.72 132.55 48.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.35 129.12 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 125.32 53.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.41 163.12 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -68.57 147.8 51.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.69 143.95 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -98.61 -41.57 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -134.56 149.23 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.58 42.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -108.99 -59.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -37.91 144.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.419 HG22 ' C ' ' A' ' 35' ' ' GLU . 14.4 m -134.87 137.99 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.0 t -71.1 155.38 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -103.34 -27.81 12.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.3 -46.34 90.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 p -105.58 -22.97 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.1 mmm 70.37 47.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' HG22 ' A' ' 29' ' ' THR . 5.6 pt-20 -131.47 139.44 49.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 153.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 64' ' ' HIS . 98.3 mt -108.06 113.13 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.96 144.98 26.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -73.05 129.96 39.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.45 -34.13 5.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -59.03 137.03 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.1 139.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -149.35 161.12 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.93 159.97 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.471 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 89.4 p -138.27 143.16 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -123.74 127.69 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -94.35 113.73 25.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.73 170.1 18.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.3 131.3 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -72.33 127.2 90.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.92 29.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.284 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.25 -46.71 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -119.32 80.29 20.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.45 30.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.38 -42.21 99.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -133.47 11.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.1 mmm -67.59 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.6 pt -140.25 163.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.28 110.87 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -105.51 176.84 5.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.471 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 80.8 m95 -136.43 146.4 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 38.7 m-85 -148.85 139.0 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 28.6 m80 -60.41 148.86 79.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -35.52 25.3 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.378 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.5 -29.69 65.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -79.29 -29.11 42.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -66.85 -37.62 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.54 -56.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -52.1 -44.67 64.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -101.42 30.6 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -65.23 -32.38 74.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.11 -57.28 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.08 -46.71 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.18 -30.86 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.93 37.6 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -94.08 96.1 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.9 mmp_? -54.14 150.32 15.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.564 0.697 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.36 -22.22 57.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 12.4 m-85 -94.13 144.32 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 p -127.76 171.16 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -59.25 -25.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.5 p -81.76 8.13 10.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -117.17 13.91 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.27 129.41 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -55.91 105.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.28 -26.22 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 40.2 t80 -47.81 -54.06 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 t -52.86 -36.96 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.48 -37.95 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -48.06 165.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.23 130.42 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.9 m -32.64 -52.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -45.99 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.44 -54.47 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.545 ' HE2' ' CE1' ' A' ' 89' ' ' PHE . 15.3 mtpt -34.99 -59.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.62 -42.37 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' ASP . . . -44.98 -52.87 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 63.0 mt -63.26 -60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' LEU . 14.7 mtpp -35.09 -44.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -48.92 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 99' ' ' ALA . 2.2 mp0 -69.78 -44.92 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.42 81.56 1.08 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.571 0.701 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 m -154.29 129.42 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 81' ' ' TYR . 53.5 mt -67.11 134.78 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.09 -50.12 4.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.87 -42.82 18.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.07 147.96 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -160.92 137.41 8.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.51 132.38 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -174.02 162.96 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -61.34 154.24 24.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.41 130.38 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -69.88 -51.56 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -138.85 158.07 44.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -82.99 48.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' SER . 3.0 mmp_? -114.35 -52.51 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ARG . 7.2 m -38.37 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 99.4 m -140.51 129.01 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.49 117.47 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -77.68 -18.69 56.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.28 -52.85 36.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.3 p -115.87 20.36 14.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.7 mtm 48.88 38.26 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 29' ' ' THR . 9.0 mm-40 -102.28 173.21 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.4 128.36 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.18 120.41 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' HG3' ' A' ' 41' ' ' GLN . 11.2 pt-20 -89.09 152.31 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -67.42 134.28 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.85 -40.21 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HG3' ' CG ' ' A' ' 38' ' ' GLU . 35.2 mm-40 -67.82 123.12 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.88 138.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 23.3 ptt180 -150.98 152.86 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -116.91 155.29 29.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -120.04 136.38 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 75' ' ' LEU . 24.0 tttt -123.22 111.21 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -78.3 115.78 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.0 ptm -162.51 161.36 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.2 t -96.86 132.2 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.43 132.92 60.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.95 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.4 -50.88 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -114.37 75.04 3.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.54 0.686 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.05 37.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.76 -40.49 92.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.86 -42.56 90.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.08 -134.08 12.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.1 124.98 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.79 169.08 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.36 110.97 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -110.9 167.37 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.637 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 44.8 m95 -128.01 153.86 46.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 4.0 m-85 -150.18 171.83 16.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -85.33 144.66 41.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.26 33.05 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.5 -36.34 62.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.2 m -74.58 -32.98 62.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD2' HD23 ' A' ' 44' ' ' LEU . 41.5 t80 -58.0 -38.39 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.91 -55.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.78 -42.64 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.409 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 11.1 m-20 -101.19 34.93 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 28.8 ptt-85 -70.95 -54.22 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.4 mt-10 -58.98 -63.22 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 75' ' ' LEU . 3.0 pt-20 -39.65 -45.27 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.47 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 27.6 mt -72.95 -35.84 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.44 40.84 1.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 43.9 t80 -91.22 92.75 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 44.4 mtt85 -50.43 152.48 3.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.77 35.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 6.8 pt-20 -64.94 -22.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 5.9 m-85 -84.54 133.38 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 p -129.22 166.68 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -54.47 -39.19 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.542 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.1 t -58.73 -38.08 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -66.15 -34.89 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 83' ' ' ALA . 62.8 mt -51.09 130.48 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -67.34 121.46 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.77 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 26.4 t80 -83.05 -51.29 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -53.71 -36.01 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.1 149.72 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.6 139.91 55.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.6 m -44.14 -42.29 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.2 -58.56 2.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 97' ' ' LYS . 2.9 p30 -66.59 -47.05 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 17.7 mttm -37.85 -68.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . 32.5 mt-10 -46.44 -38.77 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.68 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLN . 52.5 mt -70.21 -55.7 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' A' ' 98' ' ' GLU . 7.7 mtmp? -38.2 -47.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.38 -38.4 74.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 7.6 mm-40 -61.83 -51.27 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.08 76.88 1.91 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.98 36.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.445 HG21 ' CG ' ' A' ' 87' ' ' LYS . 47.0 m -150.11 138.32 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 40.8 mt -74.78 97.84 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.18 -48.28 47.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -49.15 -34.17 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 93.7 m-85 -106.67 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.9 148.59 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -134.36 127.08 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -168.9 177.21 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.15 135.63 36.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . . . -62.25 151.23 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -92.53 -49.79 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -133.54 156.17 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -81.53 45.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -100.58 -54.45 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m -50.82 132.31 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 35' ' ' GLU . 67.1 m -122.89 143.33 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 46.3 t -76.46 151.79 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HE3' ' C ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.53 -26.63 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.07 -51.29 40.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -98.86 -15.55 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp 61.28 47.3 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' HG21 ' A' ' 29' ' ' THR . 4.7 pt-20 -132.49 138.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 144.57 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.83 125.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.25 141.13 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -66.37 140.38 58.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.43 -41.11 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.71 136.92 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.68 137.6 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 23' ' ' ALA . 31.6 ptt180 -137.72 171.58 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.415 HD21 ' CB ' ' A' ' 20' ' ' ALA . 5.8 mt -144.64 128.34 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.2 p -106.98 126.09 51.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 ttpp -114.78 118.19 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -65.71 104.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ptm -164.18 159.88 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.36 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.61 126.31 47.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.3 34.5 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.783 2.322 . . . . 0.0 112.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -103.46 -42.22 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -122.34 84.5 46.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.79 7.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.377 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -61.52 -53.14 60.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.8 -36.57 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.57 -133.36 11.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -64.16 120.29 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.446 HD12 ' CZ ' ' A' ' 61' ' ' ARG . 6.4 pt -145.3 150.64 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.16 110.37 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CZ ' HD12 ' A' ' 59' ' ' ILE . 18.2 mmt-85 -101.78 173.62 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 99.1 m95 -138.83 150.71 46.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.87 125.57 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 43.2 m80 -55.76 151.18 23.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.91 -41.39 32.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.68 -35.61 74.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -74.99 -31.27 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.06 -43.94 97.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.01 -45.59 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -64.03 -59.42 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -87.89 31.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.8 ptm180 -67.29 -41.15 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 17.0 mm-40 -65.37 -67.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.68 -49.3 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.428 HD21 ' CE ' ' A' ' 46' ' ' LYS . 28.8 mt -57.24 -33.98 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.61 42.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 5.4 t80 -88.43 99.43 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -49.41 156.19 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -26.35 27.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.77 28.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 4.3 m-30 -109.4 136.98 47.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -132.63 172.06 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.9 p -60.3 -13.69 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.32 15.17 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -98.75 137.5 37.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' CG ' HG21 ' A' ' 14' ' ' THR . 13.1 mtpp -64.0 113.5 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.97 31.61 9.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 t80 -79.64 -38.37 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 t -65.45 -33.49 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.07 -45.64 91.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.2 mt -44.47 166.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.68 137.54 35.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ALA . 55.2 m -36.72 -47.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.15 -55.05 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -49.41 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.87 -51.78 54.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.95 -48.11 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -48.54 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -50.08 -50.85 46.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -55.38 -49.97 70.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -59.58 -46.65 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.75 76.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.392 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -102.7 155.46 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.82 119.49 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 -47.26 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -52.82 -42.07 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 98.3 m-85 -103.42 130.6 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.0 140.72 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.24 126.92 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -168.67 169.35 10.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -65.35 154.27 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.5 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -87.75 -49.25 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -138.79 151.76 47.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.53 40.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -92.2 -58.56 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 t -50.9 158.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 m -140.24 132.04 27.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.5 t -64.82 152.64 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -101.02 -26.47 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.65 88.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.63 -4.65 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.3 mtm 52.91 43.98 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -127.31 142.0 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 151.59 8.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.45 123.76 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.04 128.19 35.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -59.79 141.22 55.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.81 -33.08 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -66.83 140.89 57.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.01 145.24 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -152.44 164.97 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.5 mp -130.82 157.63 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.2 p -125.87 146.46 49.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -137.92 114.83 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 12.0 ttmt -79.03 123.64 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.8 ptm -164.17 156.98 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.6 t -84.73 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.09 122.75 88.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -26.54 27.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -81.97 -41.8 20.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -118.66 82.21 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.21 35.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.29 -43.72 90.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -58.66 -54.23 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -131.94 10.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.472 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -68.76 121.68 17.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 pt -134.75 166.61 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.95 122.15 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -108.91 168.4 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.61 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 86.5 m95 -133.24 152.48 51.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 31.4 m-85 -157.33 129.99 7.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 32.4 m80 -52.1 148.36 11.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.603 0.716 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.99 -32.2 17.59 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.94 56.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 m -79.95 -33.65 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CD2' HD22 ' A' ' 44' ' ' LEU . 30.8 t80 -58.68 -33.43 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.39 -51.3 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -56.05 -45.35 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -98.15 25.32 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -60.98 -46.15 91.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -74.7 -48.04 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.54 -45.45 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.2 mt -67.93 -35.98 79.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.446 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 12.2 t80 -89.31 102.68 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 39.6 mmt180 -61.84 153.01 74.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -11.34 30.68 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.662 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 5.0 pt-20 -78.51 -15.97 58.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CE1' ' CG ' ' A' ' 80' ' ' GLU . 2.0 m-85 -92.92 130.56 38.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.4 p -125.52 173.84 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.17 83.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.539 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.3 m -53.44 -36.63 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -74.62 -34.95 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 95.4 mt -52.05 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -45.46 115.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 119.93 -35.08 3.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.4 t80 -41.23 -60.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.0 t -51.41 -27.17 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.0 mt -82.37 -39.47 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.7 mt -49.39 148.3 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.7 132.93 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 8.6 m -33.67 -66.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' THR . 12.4 pt-20 -37.62 -46.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.64 -51.07 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -38.88 -57.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.03 -49.32 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.39 -46.4 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.66 -47.9 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -44.32 -49.61 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -55.68 -53.28 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -57.13 -50.3 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.61 81.87 3.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.18 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 15' ' ' LEU . 30.1 m -148.17 144.75 27.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.43 ' N ' HG21 ' A' ' 14' ' ' THR . 57.9 mt -74.39 114.39 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.73 -36.51 47.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.19 -42.08 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.411 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 29.4 m-85 -101.91 126.57 48.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.58 139.49 46.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.28 123.34 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -164.29 168.53 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -66.2 125.87 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.68 110.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.8 -50.62 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -132.07 150.24 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -84.06 39.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -96.86 -55.9 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -42.86 132.28 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.8 m -119.86 127.06 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.1 t -60.99 155.49 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -102.38 -26.1 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -50.6 43.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 p -100.58 -20.68 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.6 mtm 65.33 50.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.47 138.04 47.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 140.74 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 38' ' ' GLU . 68.4 mt -91.09 139.18 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.454 ' N ' HG22 ' A' ' 37' ' ' ILE . 14.1 mt-10 -76.23 153.25 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -83.03 113.56 20.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.3 -39.98 2.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.44 130.42 46.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.6 t -42.71 138.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.555 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 37.6 ptt180 -139.63 172.1 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mt -146.99 136.5 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.483 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 63.2 p -116.85 140.79 49.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -117.85 144.08 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 21.4 tttm -119.27 102.34 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -155.12 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.76 129.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -83.16 128.61 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.89 29.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -87.64 -42.04 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -128.07 83.88 64.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.34 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.61 -30.69 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.37 -44.13 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.64 -122.76 6.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.3 113.9 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.36 164.58 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -131.04 111.35 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -110.58 -178.93 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.555 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 62.2 m95 -138.36 137.0 36.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.3 m-85 -141.76 126.44 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -50.08 154.93 1.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 -38.54 31.56 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.24 -40.46 70.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.2 m -71.79 -40.05 69.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -49.36 -42.97 43.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.09 -48.67 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -55.49 -46.99 76.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -100.52 32.49 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 13.8 ptt180 -67.98 -30.05 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 13.2 pt-20 -87.72 -50.1 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.9 -43.01 69.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.9 mt -67.38 -31.97 72.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.75 42.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -91.72 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -74.19 157.02 87.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.1 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 12.3 pt-20 -72.07 -22.78 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 12.6 m-85 -86.58 138.99 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.9 p -130.7 171.6 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -62.31 -33.45 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -66.12 -32.24 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -72.02 -31.27 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 40.4 mt -51.11 129.97 25.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -63.4 108.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.93 33.23 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 37.7 t80 -81.99 -48.54 11.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -59.39 -33.66 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.73 -36.35 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 100' ' ' LEU . 78.6 mt -49.69 172.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLU . . . -91.26 131.76 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ALA . 89.0 m -34.05 -33.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.6 tt0 -76.67 -48.19 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -63.53 -41.78 98.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -45.49 -58.68 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.83 -46.23 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.25 -41.05 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 92' ' ' LEU . 93.4 mt -78.13 -33.04 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -66.36 -40.54 89.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -67.03 -25.56 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.06 -44.39 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.65 88.5 7.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.82 31.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.397 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 tttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 15' ' ' LEU . 54.6 m -151.27 144.02 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD21 ' CZ ' ' A' ' 81' ' ' TYR . 20.4 mt -83.14 96.04 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -53.49 -56.13 21.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -34.16 -44.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.0 148.34 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.97 140.47 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.91 135.04 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.01 167.02 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -70.61 125.97 28.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.88 136.71 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -82.08 -53.31 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 151.96 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -81.09 49.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' SER . 54.6 mtm180 -103.69 -65.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ARG . 72.7 m -35.98 144.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -132.63 127.75 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -62.2 153.74 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -100.32 -33.45 10.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.48 -55.78 28.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.3 p -97.35 -6.11 34.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.4 mtt 52.62 51.3 16.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.6 146.17 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 159.16 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.403 HG12 ' NE2' ' A' ' 64' ' ' HIS . 72.8 mt -108.74 127.32 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -65.44 140.87 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -70.52 113.89 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.71 -44.26 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.31 129.77 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -43.34 132.71 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 38.2 ptt180 -131.88 175.83 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.35 139.04 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 59.7 p -121.5 152.56 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -138.9 110.62 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.25 117.26 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 48' ' ' MET . 4.8 ppp? -163.59 159.45 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.69 138.81 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.88 122.57 78.12 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -19.04 36.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -86.36 -39.33 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -122.63 77.37 47.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.87 -43.1 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.41 -54.86 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.79 -116.56 5.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.2 OUTLIER -79.46 113.71 17.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.5 pt -127.94 158.74 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.07 128.09 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -114.03 173.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 86.2 m95 -138.28 146.56 42.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 95.9 m-85 -154.39 125.71 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 35.4 m80 -52.93 151.5 8.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.812 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.06 -41.65 33.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.45 92.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.4 m -70.81 -38.45 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.95 -44.9 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.72 -54.21 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -47.01 -53.28 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -99.37 33.14 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -60.2 -44.69 94.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.98 -46.24 30.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.04 -47.12 84.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.37 -33.92 73.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.91 43.52 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 81' ' ' TYR . 6.2 t80 -100.88 95.28 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -41.06 154.52 0.22 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' GLY . 53.7 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.3 21.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 4.8 m-30 -107.0 137.05 45.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -131.36 171.26 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -66.75 -32.42 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.566 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.1 m -52.62 -42.24 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -36.7 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 83' ' ' ALA . 62.4 mt -52.47 126.98 21.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -57.99 150.44 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 82.51 -38.24 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 84.5 t80 -35.7 -54.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 t -56.65 -40.19 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' GLY . 44.2 mt -66.86 -42.84 85.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.5 mt -47.97 167.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.33 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -40.89 -53.4 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.93 -55.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.48 -52.39 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 21.7 mttt -41.29 -45.41 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -61.21 -50.45 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.96 -55.55 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.6 mt -53.15 -62.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -39.21 -55.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -49.64 -38.11 30.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -74.02 -38.92 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.81 94.06 11.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -13.41 34.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 m -148.88 145.3 27.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 81' ' ' TYR . 56.2 mt -53.34 134.88 39.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.48 -43.14 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -88.22 33.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 89.0 m-85 -156.93 135.59 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.92 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . . . -147.29 130.63 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.17 154.08 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -51.6 131.68 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 137.68 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -80.25 -48.43 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m -127.59 161.74 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -94.97 40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 28' ' ' SER . 16.5 mmt180 -99.28 -59.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.6 p -36.67 152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.2 m -140.95 132.28 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.5 t -63.45 155.45 29.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.7 mmmt -103.03 -26.16 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.14 -51.85 31.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -99.19 -23.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmm 68.12 53.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -134.35 135.33 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.14 143.56 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -97.75 122.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.77 145.22 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -71.66 115.95 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.06 -49.31 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.37 132.0 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.58 137.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.56 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 31.1 ptt180 -134.35 168.92 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 6.8 mt -141.12 138.1 33.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.552 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 54.5 p -127.81 150.41 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.88 112.34 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -74.49 117.86 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.15 173.18 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.8 t -106.26 133.22 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.01 124.46 87.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.35 30.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.23 -33.95 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -125.53 78.54 68.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.33 37.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -59.84 -40.36 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.29 -51.95 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.8 -125.17 7.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.61 124.91 25.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.459 HD13 ' CD ' ' A' ' 61' ' ' ARG . 14.1 pt -142.8 169.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -134.4 109.44 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' CD ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -100.06 178.55 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 56.6 m95 -138.3 150.74 46.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 59.2 m-85 -154.7 132.88 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 33.7 m80 -57.88 152.3 38.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.04 -39.98 33.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.01 -34.04 75.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 m -75.35 -39.01 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -52.72 -45.17 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.96 -49.28 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -55.75 -53.18 59.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.93 30.56 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 19.6 ptt180 -63.72 -44.56 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 12.9 pt-20 -70.44 -44.43 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.07 -55.89 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -57.13 -33.8 67.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.19 39.73 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -91.28 95.02 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -61.64 153.56 70.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.92 4.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.8 -23.35 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CD1' HD23 ' A' ' 15' ' ' LEU . 20.7 m-85 -83.06 135.58 34.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.3 p -125.52 161.85 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.496 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . . . -59.02 -31.48 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.8 m -57.68 -35.47 70.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -75.19 -37.22 61.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 39.9 mt -51.62 112.35 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -46.38 135.62 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 96.87 -35.79 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 87.1 t80 -36.89 -59.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -50.62 -37.84 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' GLY . 66.8 mt -67.9 -42.68 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.4 mt -48.15 142.82 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -60.55 134.87 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.2 m -33.34 -57.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.0 tt0 -35.67 -55.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 97' ' ' LYS . 9.7 t0 -69.09 -49.75 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.6 mtpt -34.89 -51.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -65.75 -49.33 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.09 -57.09 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' LYS . 36.0 mt -58.3 -57.18 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' LEU . 58.0 mttt -35.08 -53.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -49.8 -47.55 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' LEU . 8.6 mt-30 -66.39 -49.34 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.8 mt -115.09 74.88 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -9.08 25.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.855 0.36 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -143.76 151.93 40.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.13 122.79 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.01 -50.62 4.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -47.7 -41.05 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -102.56 139.82 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.55 135.62 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.418 ' C ' ' HG3' ' A' ' 21' ' ' GLU . . . -111.44 131.62 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 3.6 mt-10 -154.24 -176.21 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -96.22 135.82 37.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -65.66 80.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' ALA . 45.2 tttp -34.34 -45.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p -135.81 156.1 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.06 38.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -91.11 -59.52 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -46.1 146.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.407 HG22 ' C ' ' A' ' 35' ' ' GLU . 27.2 m -133.96 132.97 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -66.0 149.0 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -99.41 -23.37 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -41.98 84.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.6 p -109.94 -18.8 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt 66.81 46.78 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' C ' HG22 ' A' ' 29' ' ' THR . 3.6 pt-20 -132.2 140.86 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -49.29 152.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.406 HG12 ' NE2' ' A' ' 64' ' ' HIS . 71.7 mt -105.25 99.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -38.26 154.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -80.13 137.28 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.37 -33.92 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -55.44 135.61 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.9 t -53.47 139.52 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -135.79 161.2 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.33 132.86 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 24.6 p -108.69 151.92 25.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -138.01 112.02 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.473 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -75.28 114.68 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.43 ' N ' ' HE1' ' A' ' 58' ' ' MET . 5.6 ptm -164.55 161.64 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.5 132.05 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.39 126.79 87.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.42 37.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.51 -37.27 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -126.97 80.38 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -0.08 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.41 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -46.78 11.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.92 -53.89 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.68 -137.38 13.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -67.87 118.21 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HD13 ' NH1' ' A' ' 61' ' ' ARG . 10.6 pt -123.95 169.48 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 111.01 16.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 8.8 mmp_? -96.0 173.51 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 97.4 m95 -138.74 146.63 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.8 m-85 -157.04 140.26 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -68.35 151.68 97.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.95 -40.23 32.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.1 94.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.94 -44.12 73.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -46.57 -35.05 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.81 -38.29 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -55.2 -49.53 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.35 34.92 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.54 -38.49 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.57 -47.51 12.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.04 -44.45 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.16 -35.93 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.67 37.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -88.52 124.92 34.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -87.08 156.02 54.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.13 -26.52 14.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -80.14 119.67 23.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -120.73 177.86 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.72 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.422 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 46.4 t -56.98 -21.92 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -83.76 -33.66 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -52.45 138.23 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 34.5 mtpt -62.62 155.33 26.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . . . 35.87 39.83 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 12.4 t80 -83.03 -43.11 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 t -64.0 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.05 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.1 155.23 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 132.31 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -39.59 -53.11 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.64 -53.0 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -63.54 -43.31 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.04 -40.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.05 86.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.18 -36.12 79.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.97 -46.95 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.7 -44.69 73.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.75 -45.42 89.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.52 81.21 1.76 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.67 37.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 87' ' ' LYS . 2.9 m -107.58 132.33 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -45.68 161.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.18 -48.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -91.95 39.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 86.0 m-85 -155.21 127.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.93 155.86 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.71 123.26 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -171.31 166.87 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.71 128.78 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' GLU . . . -40.67 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -51.89 -40.56 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -134.99 162.07 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 48.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -122.46 -11.03 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -75.25 153.36 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 94.8 m -135.53 129.24 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 49.6 t -68.02 123.0 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -81.71 -22.55 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.5 97.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.6 27.19 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm 40.64 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 29' ' ' THR . 2.0 mm-40 -104.27 166.93 10.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 133.35 46.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.9 mt -92.43 130.85 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 mp0 -87.1 166.13 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -89.11 127.59 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.87 -29.07 9.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -78.87 140.1 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.73 134.44 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 33.6 ptt180 -137.68 170.03 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -140.68 144.61 35.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.483 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.7 p -129.63 160.88 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 23.3 tttm -142.53 118.05 10.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -71.83 113.11 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ptm -164.21 163.39 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.57 150.64 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -89.71 123.44 66.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.03 37.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.09 -49.33 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -115.23 82.05 8.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.232 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -52.15 -33.4 40.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -73.49 -51.65 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.54 -124.81 8.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.8 mmm -72.78 125.63 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 pt -139.46 166.64 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.51 110.8 16.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -101.08 170.58 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.6 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 30.7 m95 -135.51 151.34 50.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 3.6 m-85 -153.33 159.9 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -75.94 149.26 82.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.96 -36.24 26.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.64 -33.25 52.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -78.81 -26.47 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -65.95 -35.51 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -77.21 -52.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -49.31 -38.14 26.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -111.47 34.04 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -68.85 -41.04 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.59 -47.88 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.34 -51.41 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.6 -35.8 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.32 35.42 1.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 6.1 t80 -94.19 104.3 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 35.1 mmt180 -60.25 150.88 70.16 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.57 12.27 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -99.14 19.89 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 20.8 m-85 -116.93 152.49 34.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 p -131.79 -179.67 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -87.06 -20.68 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.2 p -74.73 -4.69 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -107.91 21.13 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 75.4 mt -96.16 134.62 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' CG ' HG23 ' A' ' 14' ' ' THR . 24.3 mtmt -57.38 111.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.35 28.7 13.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 34.3 t80 -81.12 -44.52 17.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -63.78 -17.02 62.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -79.24 -38.38 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.63 156.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -74.48 130.62 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ALA . 12.3 m -34.0 -48.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.86 -49.19 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' ALA . 13.7 m-20 -74.87 -48.56 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -38.15 -47.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.28 -45.54 90.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.66 -60.34 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.33 -53.42 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -46.06 -46.69 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -65.09 -48.27 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.47 -36.47 73.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.56 79.67 2.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -145.99 143.06 29.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.09 115.54 26.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.25 -52.09 11.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.458 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 31.2 p-10 -38.55 -41.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 82.2 m-85 -102.79 134.09 46.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.71 130.22 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.26 115.71 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.64 175.22 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -73.95 115.3 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.87 113.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.96 -43.3 91.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -136.55 159.98 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -83.77 43.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -110.23 42.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 1.8 m -134.55 146.46 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 94.5 m -137.99 130.2 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.55 125.55 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -80.44 -25.97 38.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.98 -50.36 66.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -118.79 27.33 8.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' CYS . 31.0 mtm 37.31 39.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 29' ' ' THR . 5.1 mm-40 -99.56 169.64 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 131.02 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 22.3 mt -87.57 118.1 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.47 166.98 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -82.59 129.49 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.65 -42.76 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -53.42 124.52 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -43.08 126.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.636 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 33.4 ptt180 -131.57 146.14 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 86' ' ' LEU . 9.9 mt -117.97 122.65 43.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 52.3 p -100.92 137.39 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -121.0 136.65 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -82.48 104.58 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -163.67 149.5 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.62 145.1 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.11 123.72 84.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -12.09 32.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -94.23 -34.1 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -134.42 80.45 51.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -14.0 35.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.38 -22.08 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.83 -46.34 11.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.59 -134.9 11.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.42 130.22 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.18 141.08 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.9 128.24 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -126.6 177.99 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.636 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 29.8 m95 -139.1 141.91 38.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 1.3 m-85 -137.57 174.07 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -88.42 144.69 34.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.02 -38.46 31.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.632 2.222 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.61 -37.36 46.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -75.02 -25.34 58.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 75' ' ' LEU . 41.0 t80 -66.55 -42.15 87.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.21 -48.07 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -52.83 -43.34 65.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -105.48 32.21 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 18.6 ptt180 -62.71 -50.32 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' ARG . 8.1 pt-20 -63.59 -46.03 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.69 -52.3 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.448 HD11 ' CE1' ' A' ' 68' ' ' PHE . 25.5 mt -55.29 -27.71 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.42 42.82 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -105.62 106.39 16.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.99 154.3 92.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -24.23 29.91 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.45 -14.97 62.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.03 138.82 31.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.0 p -125.35 166.84 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . . . -49.25 -31.05 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.555 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 3.1 t -64.01 -35.62 81.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.95 -29.25 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 44' ' ' LEU . 81.4 mt -59.08 118.64 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.83 122.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 107.61 -34.67 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 88.1 t80 -34.88 -65.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -46.21 -35.77 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.8 mt -72.96 -36.87 67.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.05 144.85 22.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.7 151.14 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.5 m -49.02 -59.47 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -40.42 -44.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -68.6 -50.7 49.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.544 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 23.8 mttt -42.61 -53.83 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.76 -44.31 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.38 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.1 mt -74.05 -53.62 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -39.23 -42.39 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -59.5 -53.92 52.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.94 -49.98 73.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.29 77.36 2.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -23.26 31.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -101.35 152.27 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD21 ' CE1' ' A' ' 81' ' ' TYR . 15.1 mt -102.02 129.99 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.07 -49.43 8.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.473 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 50.4 m-85 -104.82 133.62 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.07 131.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.79 132.71 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.89 160.18 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.13 129.67 41.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.03 127.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' SER . 11.5 ptpt -73.35 -31.67 64.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 58.5 m -138.6 163.86 30.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' HB2' ' A' ' 39' ' ' LYS . 1.4 p30 -100.34 35.08 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' SER . 31.4 mmt180 -112.18 -60.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ARG . 49.6 m -33.76 110.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -95.42 138.88 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.3 t -62.38 154.27 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 24.9 tptt -100.94 -31.93 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.26 -69.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.6 p -84.12 -19.75 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmm 67.9 49.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -129.08 134.57 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -39.53 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -129.21 123.14 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 154.06 41.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB2' ' N ' ' A' ' 26' ' ' ASN . 49.9 tttt -87.05 106.14 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.11 -31.92 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -65.87 145.57 55.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.11 125.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.677 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 39.6 ptt180 -126.78 177.71 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 86' ' ' LEU . 12.2 mt -146.69 126.24 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 86.9 p -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 38.7 tttm -144.57 112.86 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -77.09 106.96 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.71 159.58 40.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.25 123.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.36 121.73 85.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.306 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.01 -44.63 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -124.44 83.44 57.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -27.69 26.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -39.97 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.03 -35.22 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.3 9.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -64.19 111.19 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.5 173.72 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -131.11 107.74 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.94 171.44 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.677 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 70.4 m95 -133.02 144.02 49.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -147.49 146.1 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.502 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 13.1 m80 -69.63 152.65 96.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -29.41 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.29 -35.2 43.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.7 m -75.65 -23.06 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.1 -56.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -54.49 -44.3 72.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 32.66 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 10.6 ptm180 -70.1 -41.27 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 30.1 mm-40 -79.84 -47.16 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.1 -53.38 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.91 -31.91 42.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.67 2.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 7.5 t80 -89.24 128.35 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.94 153.45 40.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.05 6.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.473 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 16.4 pt-20 -85.16 -15.67 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CE1' HD21 ' A' ' 15' ' ' LEU . 15.5 m-85 -106.96 136.87 46.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 72.5 m -128.78 167.53 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.75 -31.1 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -66.27 -34.26 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -69.82 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 44' ' ' LEU . 69.6 mt -55.94 135.24 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -66.12 138.79 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.82 94.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.84 -42.19 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 m -68.37 -22.57 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.52 -27.42 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.14 169.45 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 96' ' ' ASP . . . -79.41 129.16 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.9 m -41.14 -36.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.76 -44.04 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -85.58 -38.39 18.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -44.07 -52.96 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.67 -43.3 97.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.49 -50.9 70.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.68 -41.3 94.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.02 -36.65 73.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -78.49 -48.45 15.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -57.93 -48.68 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.73 84.77 5.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -136.62 148.4 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 81' ' ' TYR . 15.1 mt -89.2 123.33 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.2 -45.35 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.3 -41.14 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 82.7 m-85 -102.57 141.31 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.13 138.61 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.32 127.63 44.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.97 178.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -72.99 127.67 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -40.12 -50.02 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -130.37 162.86 28.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -96.49 46.9 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -100.78 -49.96 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -48.03 145.59 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -135.71 127.68 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.1 t -64.04 150.38 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -98.14 -29.42 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.42 40.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 p -98.15 -9.57 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.8 mtt 56.37 48.04 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.85 142.91 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 152.08 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.1 mt -103.14 112.97 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.75 151.48 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -77.9 132.05 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.3 -40.63 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -53.72 133.54 41.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.55 141.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 32.5 ptt180 -139.09 173.36 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -147.94 125.82 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.6 p -108.89 155.38 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 47.5 tttm -144.56 126.13 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -83.5 117.34 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.6 ptm -164.19 171.42 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.8 t -100.22 134.04 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -74.95 127.86 86.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.14 37.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.02 -47.1 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -123.57 82.89 53.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.58 16.5 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -65.77 -45.02 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.02 -47.94 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.81 -120.9 6.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -76.24 103.78 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -117.32 160.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -113.73 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -107.54 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 67.0 m95 -134.77 154.34 51.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 81.5 m-85 -157.95 126.15 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 34.9 m80 -53.98 153.14 9.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.97 -39.73 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.87 -35.22 65.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -76.89 -29.72 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -66.67 -39.28 88.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.35 -52.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -58.22 -47.57 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -92.88 22.32 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.13 -19.28 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -82.45 -67.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -41.59 -53.52 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 77.5 mt -56.77 -36.04 69.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.34 43.92 3.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.559 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' TYR . 49.2 t80 -80.14 94.88 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -53.04 148.18 14.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.61 8.73 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.1 -23.3 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.1 m-85 -87.68 118.09 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -114.8 173.89 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.18 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.474 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 27.5 p -55.32 -39.31 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -76.18 -35.62 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 49.8 mt -50.69 112.52 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.71 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 81.54 -36.0 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 72.5 t80 -34.39 -54.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -42.89 97.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' GLY . 56.9 mt -61.19 -43.66 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 89' ' ' PHE . 19.0 mt -48.56 177.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.81 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -38.61 -50.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.8 -55.87 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -46.98 86.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -41.43 -62.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.02 -40.86 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.56 -54.93 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.49 -48.75 74.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -39.55 -48.39 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.04 -46.94 86.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.28 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.01 86.87 46.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.21 31.23 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.713 2.275 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 15' ' ' LEU . 20.9 m -137.75 146.55 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 81' ' ' TYR . 66.6 mt -76.47 119.62 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.03 -39.0 13.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.406 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 56.9 m-85 -101.62 138.15 39.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.76 134.12 15.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.7 121.07 39.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -158.89 167.87 28.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.18 133.28 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . . . -44.45 141.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -88.95 -46.58 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.9 p -133.83 160.43 37.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -93.29 39.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -104.78 -54.51 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -43.22 153.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -144.76 125.1 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 t -61.05 155.86 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -102.47 -29.44 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -45.42 95.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -105.73 -19.11 13.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.5 mtm 63.85 53.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -136.63 137.19 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 138.28 26.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.2 mt -86.16 117.0 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.22 135.01 57.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -65.76 120.01 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.18 -41.84 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -56.4 134.92 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -47.16 147.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 21.1 ptt180 -156.0 162.83 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.47 153.43 50.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 28.5 p -131.28 144.78 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -131.43 121.53 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -74.22 116.31 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.7 ptm -161.28 161.06 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.99 139.26 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 40.7 t0 -81.76 124.45 79.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -26.99 26.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.9 -47.14 31.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -118.24 81.99 17.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -16.84 37.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -52.41 -45.34 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.19 -50.77 24.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.58 -119.79 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.8 116.19 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 pt -132.55 171.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -119.03 117.12 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NH2' ' OD2' ' A' ' 50' ' ' ASP . 12.2 mmt180 -100.21 167.06 10.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 97.8 m95 -136.54 136.43 39.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -144.78 123.65 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 49.5 m80 -48.58 148.92 3.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.99 -38.66 31.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.23 -34.85 60.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 m -75.97 -38.11 57.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.04 -41.69 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.56 -48.77 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -58.42 -49.24 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.93 32.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -74.2 -46.09 44.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.6 pt-20 -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 41.4 tt0 -62.16 -50.11 73.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.79 -33.1 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.09 42.49 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 t80 -84.93 100.9 11.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 14.5 mmm180 -52.07 154.16 4.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLY . 54.3 Cg_endo -69.73 -25.42 28.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -83.09 29.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 8.8 m-85 -118.29 133.55 55.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -131.83 168.41 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -65.97 -47.57 74.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 15.2 t -45.14 -38.35 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -72.6 -37.03 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 83' ' ' ALA . 78.6 mt -53.01 100.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -38.63 122.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 112.21 -38.71 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.3 t80 -35.22 -55.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -53.81 -41.76 67.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLY . 81.0 mt -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.2 mt -52.07 171.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.42 149.07 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 m -54.55 -51.32 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.03 -61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -46.86 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 3.2 mtpm? -51.03 -60.25 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -42.56 -42.33 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.21 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 103' ' ' GLN . 38.3 mt -59.55 -55.64 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.3 mtmt -36.68 -48.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.31 -39.02 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' LEU . 30.4 mt-30 -66.96 -50.3 62.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.6 mt -115.98 75.6 5.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.57 21.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -113.74 144.12 43.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 81' ' ' TYR . 42.0 mt -72.28 110.64 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.52 -41.76 24.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.2 p-10 -65.59 -40.14 92.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 98.0 m-85 -102.37 140.12 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.66 150.51 29.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.5 127.65 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.15 171.89 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -74.33 144.35 44.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 133.58 54.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -79.11 -48.54 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.6 m -133.01 159.18 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -88.4 38.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -100.04 -50.97 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.7 t -46.74 153.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -143.51 126.61 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.6 t -61.64 155.54 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.37 -27.25 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.91 93.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' CD ' ' A' ' 35' ' ' GLU . 7.8 p -107.72 -17.04 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 23.2 mtm 62.57 54.38 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CD ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt-20 -136.0 139.07 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 146.43 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 64' ' ' HIS . 81.7 mt -100.22 103.23 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -49.9 145.77 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.24 127.27 32.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.67 -40.03 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.12 125.74 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.9 t -41.18 148.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 34.8 ptt180 -153.94 161.95 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -130.91 153.15 49.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.434 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.3 p -124.55 145.47 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 25.0 tttm -132.26 115.24 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 32.6 tttm -78.89 113.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -160.6 167.87 26.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.02 138.63 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.65 129.57 54.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.35 -48.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -115.53 81.61 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -32.29 18.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.5 -47.61 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.09 -45.44 94.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -126.34 7.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.444 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmm -65.26 130.06 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -139.88 168.04 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.66 121.26 42.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -106.27 170.21 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.459 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 98.1 m95 -136.0 139.04 42.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -149.91 122.04 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 36.8 m80 -48.4 149.56 2.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -34.26 22.2 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.29 -33.83 52.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.08 -31.87 56.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD2' HD21 ' A' ' 44' ' ' LEU . 36.2 t80 -61.27 -37.27 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.68 -41.72 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -66.2 -44.54 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -99.74 33.24 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 36.0 ptt85 -71.04 -41.47 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.0 pt-20 -76.33 -46.03 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.9 -49.34 77.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.47 -36.01 81.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.86 41.27 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 72.1 t80 -90.49 92.77 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 1.7 mmp_? -41.68 146.73 0.56 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.68 36.34 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.55 -25.28 59.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 18.4 m-85 -80.97 131.99 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -128.59 164.98 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -48.25 -50.96 27.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.557 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 11.3 m -46.44 -36.51 6.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -77.18 -37.83 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.5 mt -50.7 106.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -41.56 120.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.62 -36.35 3.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 76.9 t80 -39.54 -49.87 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -61.66 -38.04 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . 87.5 mt -64.71 -45.4 86.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.5 mt -47.94 157.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.23 149.67 48.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 m -46.93 -42.26 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -61.3 -56.45 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.5 -45.13 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.11 -48.97 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.78 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.24 -55.38 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -39.94 -52.19 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -49.51 -46.99 49.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.16 -48.97 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.32 75.28 4.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -26.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.425 ' CG2' ' HG3' ' A' ' 87' ' ' LYS . 97.5 m -164.03 138.4 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 81' ' ' TYR . 37.8 mt -81.82 116.79 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.47 -42.3 10.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.9 p-10 -54.4 -42.1 70.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 94.2 m-85 -102.68 134.55 45.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.26 132.03 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.01 130.38 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -174.87 172.57 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.45 151.15 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.98 158.41 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.15 -48.18 4.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.1 m -139.0 149.3 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 38' ' ' GLU . 3.4 t-20 -78.36 55.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -116.86 -39.67 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -52.44 154.33 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 91.8 m -138.37 127.6 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.9 t -68.0 120.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -73.6 -34.01 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.99 -55.18 25.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -115.13 28.24 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' CYS . 3.4 mmt 36.63 39.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 29' ' ' THR . 4.6 mm-40 -98.87 168.45 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.57 130.6 47.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.92 117.16 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 mm-40 -72.92 168.37 19.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -84.69 117.54 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.58 -48.9 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -52.43 137.55 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.42 141.56 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 14.2 ptt180 -155.96 143.7 19.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.3 mp -109.24 156.9 19.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -127.23 155.53 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -141.78 113.53 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -65.3 116.62 6.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 ptm -161.14 162.8 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.27 133.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.87 121.32 77.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.04 36.65 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.16 -36.78 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -123.89 82.36 55.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.33 37.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.72 -44.61 93.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.09 -47.83 82.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.53 -133.2 11.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.85 122.72 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 pt -134.15 172.71 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.45 124.41 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -105.67 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 97.2 m95 -136.79 147.06 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 10.5 m-85 -148.39 165.39 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -83.48 145.62 48.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.98 -37.01 28.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.8 -33.37 57.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.04 -28.07 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CD2' HD22 ' A' ' 44' ' ' LEU . 32.0 t80 -64.73 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.42 -53.48 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -54.73 -46.67 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -98.91 32.01 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -69.72 -50.86 39.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.86 -48.81 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.75 -56.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.92 -33.28 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.53 1.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 41.4 t80 -92.76 97.69 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 66.8 mtt180 -57.59 151.94 37.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -6.14 17.84 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 4.3 pt-20 -80.09 -21.82 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 11.4 m-85 -90.15 144.55 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.8 p -132.79 177.93 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -66.79 -40.84 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 84.8 p -51.38 -38.96 56.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -71.83 -37.32 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 91.9 mt -50.62 110.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 7.8 mtpm? -47.28 133.28 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.64 -22.56 39.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 23.6 t80 -49.85 -59.31 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.8 m -53.42 -21.49 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.94 -32.26 27.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.18 150.43 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.0 131.78 49.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 77.9 m -32.19 -58.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.88 -55.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' LYS . 22.0 t70 -63.95 -49.64 71.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.3 mtpt -35.21 -63.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -46.01 -62.37 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -37.42 -53.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.04 -39.49 92.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' GLU . 21.9 mtpp -60.64 -42.83 97.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 6.9 ptmt -73.5 -26.04 60.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 34.8 mt-30 -76.93 -49.47 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.95 75.86 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 tptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.356 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -152.35 167.94 27.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 81' ' ' TYR . 98.9 mt -58.0 121.8 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.64 20.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.1 -40.64 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -104.58 141.2 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.02 139.78 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.06 130.65 52.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -169.98 162.37 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 37.8 m-85 -67.56 123.35 20.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -77.81 -49.13 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.1 t -137.39 154.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.3 47.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 27' ' ' ARG . 4.8 mmm180 -109.31 -52.95 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -38.57 157.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 96.5 m -142.0 127.72 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.3 t -64.35 127.04 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -83.27 -27.55 29.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.0 96.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.2 p -126.06 29.95 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' CYS . 7.4 mtp 35.87 39.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 29' ' ' THR . 7.0 mm-40 -99.44 166.35 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 132.0 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 126.72 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.22 157.49 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.55 124.67 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.79 -34.67 5.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.42 130.89 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.78 125.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.55 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 28.2 ptt180 -129.36 149.53 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mt -125.74 124.55 41.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 64.2 p -108.39 139.7 42.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -121.59 120.82 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -69.88 109.34 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -165.81 158.26 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 m -89.49 148.77 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.44 124.9 57.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -18.31 37.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -96.75 -52.06 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -114.2 80.44 5.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.43 14.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.25 -20.58 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -83.66 -43.9 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.22 -136.0 13.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.12 121.93 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 pt -142.15 151.08 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 134.1 40.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -129.55 166.71 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 99.9 m95 -133.77 152.13 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 55.1 m-85 -156.79 154.61 30.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -71.39 149.15 93.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.98 -38.83 32.13 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.75 2.3 . . . . 0.0 112.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.05 -36.46 46.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 m -74.28 -22.95 59.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -70.17 -38.47 75.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.65 -47.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -56.58 -42.83 79.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -98.76 30.91 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.6 ptt85 -69.97 -46.19 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.92 -31.96 73.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.33 -44.87 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.55 -29.41 67.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.85 38.29 3.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 23.7 t80 -84.71 106.62 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.7 156.46 84.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -7.58 21.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 19.0 pt-20 -79.23 -13.0 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' A' ' 15' ' ' LEU . 10.1 m-85 -96.25 140.26 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -124.88 175.16 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.67 -22.25 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.549 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.9 t -79.41 -8.74 59.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -99.95 8.76 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -90.12 119.75 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -49.98 125.44 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -7.49 76.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 81.5 t80 -59.61 -55.19 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 m -52.22 -28.93 20.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.8 -42.77 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.409 HD22 ' CZ ' ' A' ' 22' ' ' TYR . 65.7 mt -47.24 150.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.57 139.56 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.1 m -43.84 -38.43 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.46 -58.79 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -53.03 -40.94 64.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.491 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 30.7 mttt -48.15 -59.08 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -45.96 -46.12 16.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.19 -45.58 44.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 103' ' ' GLN . 50.2 mt -70.87 -55.33 8.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -39.33 -37.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.48 -44.17 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 100' ' ' LEU . 35.5 mt-30 -64.2 -49.79 70.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.55 78.92 6.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.385 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -150.68 133.54 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.19 139.38 57.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.33 -38.79 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.86 -49.46 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 46' ' ' LYS . 9.5 m-85 -102.95 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.61 155.57 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . . . -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.74 161.39 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -65.87 129.45 39.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.68 137.25 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -85.96 -41.03 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -137.13 148.43 46.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.6 38.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.455 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 14.9 mmp_? -93.34 -52.41 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -46.48 150.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 m -142.07 127.6 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -61.37 155.71 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -101.98 -29.27 11.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.65 -50.6 60.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.9 -16.26 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.2 mtm 62.36 42.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.26 137.42 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 149.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.404 HG12 ' NE2' ' A' ' 64' ' ' HIS . 93.9 mt -101.09 106.1 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -48.82 149.63 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -79.37 125.24 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.08 -38.09 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -55.82 136.45 51.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -52.82 132.05 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 22.3 ptt180 -131.44 170.1 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 6.0 mt -144.97 129.92 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 79.3 p -105.32 155.24 19.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 6.0 tmtm? -138.05 140.51 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 31.5 ttpt -108.36 108.62 19.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -152.0 159.82 43.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -88.67 138.68 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.85 128.59 55.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.82 35.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -81.69 -51.89 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -114.9 75.23 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.526 0.679 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.7 36.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.95 -21.53 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.96 -46.13 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.93 -115.71 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -77.68 126.63 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 pt -134.59 157.85 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.38 132.33 53.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.22 175.49 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 93.4 m95 -139.01 146.46 40.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -155.13 127.27 7.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 46.0 m80 -55.87 153.95 15.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -35.62 25.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.63 -32.36 54.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 m -79.12 -32.81 44.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -58.66 -42.23 87.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.6 -34.02 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -60.95 -59.91 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -96.77 31.86 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -55.42 -43.67 75.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.65 -54.71 6.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -50.22 -47.76 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.61 42.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 11.8 t80 -102.16 91.45 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.567 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 2.9 mmp_? -50.51 155.6 1.79 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -4.61 14.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 4.56 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CD1' ' HB2' ' A' ' 78' ' ' ARG . 2.4 m-85 -92.99 148.3 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.3 m -133.23 167.2 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.567 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 60.7 p -59.65 -11.91 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -98.06 19.01 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -102.0 117.89 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -43.28 107.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.51 -38.76 2.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 17.8 t80 -35.8 -54.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.9 t -55.18 -41.96 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.7 mt -60.37 -42.99 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.94 171.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -88.18 139.24 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 30.9 m -34.94 -56.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -43.19 -54.03 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.43 -49.57 70.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -39.24 -57.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.57 -52.65 59.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.14 -36.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.1 mt -81.04 -42.64 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -58.08 -42.78 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -62.14 -23.44 66.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -89.05 -45.41 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -113.24 75.8 2.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 4.91 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -158.58 146.96 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 81' ' ' TYR . 40.2 mt -73.88 121.23 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.92 -35.4 35.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.91 -40.22 79.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 83.3 m-85 -101.55 119.79 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.59 149.06 52.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.86 119.89 26.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -162.09 164.57 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -75.74 127.68 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.97 130.17 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' SER . 10.5 ptpp? -75.65 -43.21 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.3 p -135.58 163.3 30.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.89 40.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -102.04 39.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -138.34 144.95 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 97.8 m -138.71 128.25 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.12 121.31 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 25.3 mmtt -79.19 -22.09 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.61 -49.74 62.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -118.96 25.06 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtt 40.97 40.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 29' ' ' THR . 2.4 mm-40 -101.76 168.62 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 128.73 50.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -86.31 124.66 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.54 160.39 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -75.72 137.35 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.1 5.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -65.45 128.02 34.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -44.44 140.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.545 ' CD ' ' CE3' ' A' ' 62' ' ' TRP . 30.4 ptt180 -145.54 147.32 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -119.08 115.89 25.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.5 p -96.45 158.43 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 11.0 ttpt -144.14 112.12 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 16.8 ttmt -64.95 114.22 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptm -154.95 169.62 23.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.4 t -96.13 135.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.41 126.81 77.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -24.62 29.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.12 -45.31 41.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -123.91 87.97 52.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.92 21.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 15.8 pt20 -47.53 -46.42 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 34.6 mt -61.47 -50.77 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.34 -125.6 7.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.404 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 46.6 mmm -66.91 132.25 47.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.63 177.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -124.89 126.43 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -120.78 174.98 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 67.3 m95 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 44.9 m-85 -154.41 165.66 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -82.21 143.56 48.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.02 -37.37 29.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.74 -34.89 52.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 m -78.63 -26.96 45.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -69.76 -33.56 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.61 -44.19 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.48 -44.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.19 32.79 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -70.5 -32.82 70.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.11 -46.1 71.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.58 -31.4 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.56 43.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 2.5 t80 -96.1 100.08 11.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -63.57 158.3 60.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.93 2.51 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.628 2.219 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -93.96 -26.45 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CD1' HD12 ' A' ' 15' ' ' LEU . 2.7 m-85 -82.97 121.17 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 p -122.59 176.3 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -58.67 -30.75 67.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -76.19 -20.59 57.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.39 -35.86 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.7 mt -51.04 137.28 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -64.87 161.76 17.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.19 32.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 11.5 t80 -86.32 -46.1 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 -32.2 72.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.0 mt -46.55 154.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -66.14 139.33 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' ALA . 97.9 m -37.59 -55.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.5 -42.29 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -69.31 -31.98 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -64.15 -41.15 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.0 -48.1 77.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.08 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.81 -40.47 12.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.88 -41.91 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -51.96 -41.85 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -80.24 -32.31 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.5 mt -114.32 94.02 33.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.39 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 15' ' ' LEU . 26.6 m -139.3 142.28 37.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.438 ' N ' HG21 ' A' ' 14' ' ' THR . 40.1 mt -75.92 91.18 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.54 -43.71 28.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 18' ' ' PHE . 3.2 p30 -54.78 -39.58 68.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.445 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 35.3 m-85 -101.63 124.39 47.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.1 135.38 45.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.0 136.17 54.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.98 174.97 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -78.57 123.49 27.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.11 121.97 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -72.98 -44.51 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -137.7 149.53 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -82.28 41.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -96.31 -57.59 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -45.17 140.67 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -127.75 131.26 49.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.7 t -66.06 153.11 43.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -26.71 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.4 91.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.9 p -107.01 -15.3 14.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 73.8 mtm 59.96 52.51 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.38 137.02 36.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 145.17 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.413 HG12 ' NE2' ' A' ' 64' ' ' HIS . 94.8 mt -93.05 134.23 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.7 139.68 45.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -71.76 132.19 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.3 -38.26 3.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.43 144.87 50.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 43' ' ' ARG . 96.6 t -57.11 140.53 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 29.3 ptt180 -138.52 167.69 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -145.76 113.37 6.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.538 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 38.3 p -98.0 151.27 20.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -125.97 135.86 52.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -102.74 111.01 23.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.423 ' C ' ' HE1' ' A' ' 58' ' ' MET . 4.7 ptm -155.22 169.15 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -99.58 149.63 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -96.91 123.56 53.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.22 37.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.54 -45.19 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -124.67 82.56 59.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.88 29.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 9.0 pt20 -61.95 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 38.9 mt -62.71 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.9 -110.17 3.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.427 ' CA ' ' HE3' ' A' ' 58' ' ' MET . 0.0 OUTLIER -97.03 118.7 34.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 0.0 110.858 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 HD13 ' NE ' ' A' ' 61' ' ' ARG . 17.0 pt -111.91 170.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 112.6 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' NE ' HD13 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -103.01 -179.18 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 62.7 m95 -138.8 148.07 43.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 17.6 m-85 -151.69 132.44 14.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 18.3 m80 -59.04 152.05 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.01 -40.26 33.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -37.64 93.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 m -73.13 -40.31 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -56.35 -42.62 78.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -36.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.82 -47.1 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -99.5 32.66 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -71.67 -45.26 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -68.38 -46.39 70.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.67 -45.92 90.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.66 -35.96 75.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.28 46.98 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.37 92.96 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 81.8 mmt-85 -50.86 154.16 2.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.05 3.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.82 -26.39 13.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 13.3 m-85 -77.96 122.79 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -129.01 171.99 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -46.91 -39.13 11.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -60.03 -33.04 71.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.48 -32.95 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -54.6 138.4 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 2.2 tmmm? -73.87 113.68 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.97 33.3 5.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 79.8 t80 -84.47 -51.16 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -53.56 -31.58 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.8 -38.17 79.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 100' ' ' LEU . 89.7 mt -45.21 149.47 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -62.64 127.08 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' ALA . 27.0 m -33.42 -51.9 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.3 -48.29 74.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -64.89 -50.09 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.4 mtpt -37.37 -65.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -47.3 -46.96 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.17 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 101' ' ' LYS . 35.4 mt -62.17 -60.78 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 100' ' ' LEU . 33.3 mtpt -34.1 -49.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -50.31 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.46 -49.46 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.19 77.84 1.26 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.42 37.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -138.28 129.61 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -45.78 118.99 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 169.37 42.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -80.9 121.21 25.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -60.45 137.62 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.41 87.25 1.17 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.18 79.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -103.54 154.54 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -117.78 94.62 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.9 145.49 28.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.56 -38.77 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -126.81 39.97 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -122.92 147.52 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 81' ' ' TYR . 62.1 mt -85.29 124.1 31.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -76.06 -60.95 2.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.508 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -38.26 -39.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 73.7 m-85 -101.49 120.63 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 142.87 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.76 138.25 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -168.96 166.04 11.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -65.62 137.72 57.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 92.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -44.61 -48.48 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.9 p -136.44 162.65 32.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -95.3 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -92.7 -53.56 4.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -59.42 158.28 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -140.53 131.47 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.7 t -62.93 152.38 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -105.34 -20.65 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.3 -30.99 64.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.6 p -122.07 -9.39 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.8 mtp 57.85 45.67 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -131.82 137.7 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 153.89 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.7 mt -103.72 102.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.57 137.47 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -59.31 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.8 -45.11 2.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -55.96 126.93 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.33 145.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -149.92 158.22 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mp -129.54 162.27 28.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.2 p -135.35 154.63 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -137.43 119.38 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 1.1 ttmp? -67.46 116.6 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 ptm -162.48 165.59 25.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 49.3 t -99.48 131.29 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.84 126.74 89.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.14 26.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -84.01 -22.89 31.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -133.48 75.97 68.4 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.534 0.683 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.81 37.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 13.8 pt20 -63.61 -41.28 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 14.0 mt -65.08 -48.02 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.23 -131.57 10.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -64.26 103.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 pt -119.97 175.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -128.31 113.81 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -95.52 173.9 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.412 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 61.0 m95 -136.53 141.26 43.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 12.8 m-85 -147.7 133.91 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 30.0 m80 -53.32 147.68 18.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.97 -35.45 25.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.92 -31.34 62.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -78.8 -33.72 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -59.88 -37.72 80.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.3 t -70.9 -56.22 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -53.95 -45.08 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -99.08 33.63 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.25 -29.2 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -87.13 -50.26 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.69 -45.32 73.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.6 mt -64.23 -32.22 73.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.53 1.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.546 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.44 107.88 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -76.31 159.15 80.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -18.53 36.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.298 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.561 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.7 pt-20 -64.89 -17.42 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.561 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 8.7 m-85 -109.94 129.2 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.0 t -109.2 -175.03 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.09 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.526 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 8.6 t -62.88 -8.5 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -100.72 12.22 37.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.8 mt -92.57 115.7 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -44.61 110.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . 118.05 -37.49 3.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 90.3 t80 -35.81 -59.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.7 t -48.1 -43.08 30.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' GLY . 82.5 mt -64.64 -43.21 94.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 89' ' ' PHE . 53.3 mt -47.46 167.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.62 140.79 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.2 m -39.51 -55.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -43.52 -56.58 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -62.9 -44.26 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 31.4 mttp -46.69 -64.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.11 -36.4 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.68 -35.75 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.5 mt -81.22 -38.09 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.43 -41.69 98.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -64.37 -24.83 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -87.73 -47.05 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.0 85.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.53 3.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.0 -112.96 3.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 m -83.47 125.4 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.41 132.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.2 p -88.44 87.67 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -95.91 125.83 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -67.8 150.39 48.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -133.67 150.13 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -123.09 151.47 41.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.4 -124.73 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -137.71 173.8 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -158.51 155.78 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.62 140.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -35.66 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.24 -72.59 0.14 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t 52.88 49.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.2 144.86 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -117.64 174.27 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 m -55.36 167.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.18 145.27 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -144.25 178.27 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.16 119.26 22.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -153.92 177.48 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -108.86 178.49 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -145.22 153.83 25.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -174.76 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 t -132.36 155.64 48.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 t -105.78 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -163.44 140.18 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -157.52 169.65 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.43 -86.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p 45.76 44.51 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -71.22 151.76 44.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.67 177.08 46.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.58 178.61 27.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -119.74 60.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -120.12 179.89 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.64 76.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -108.46 160.75 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -82.85 43.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -109.4 141.75 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.12 134.54 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.52 -49.39 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.89 -41.05 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -102.72 132.55 48.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.35 129.12 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 125.32 53.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.41 163.12 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -68.57 147.8 51.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.69 143.95 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -98.61 -41.57 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -134.56 149.23 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.58 42.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -108.99 -59.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -37.91 144.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.419 HG22 ' C ' ' A' ' 35' ' ' GLU . 14.4 m -134.87 137.99 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.0 t -71.1 155.38 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -103.34 -27.81 12.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.3 -46.34 90.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 p -105.58 -22.97 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.1 mmm 70.37 47.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' C ' HG22 ' A' ' 29' ' ' THR . 5.6 pt-20 -131.47 139.44 49.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 153.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.418 HG12 ' NE2' ' A' ' 64' ' ' HIS . 98.3 mt -108.06 113.13 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.96 144.98 26.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -73.05 129.96 39.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.45 -34.13 5.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -59.03 137.03 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -55.1 139.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -149.35 161.12 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.93 159.97 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.471 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 89.4 p -138.27 143.16 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -123.74 127.69 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -94.35 113.73 25.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.73 170.1 18.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.3 131.3 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -72.33 127.2 90.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.92 29.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.284 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.25 -46.71 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -119.32 80.29 20.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.45 30.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.38 -42.21 99.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -133.47 11.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.1 mmm -67.59 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.6 pt -140.25 163.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.28 110.87 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.1 OUTLIER -105.51 176.84 5.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.471 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 80.8 m95 -136.43 146.4 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 38.7 m-85 -148.85 139.0 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 28.6 m80 -60.41 148.86 79.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -35.52 25.3 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.378 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.5 -29.69 65.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -79.29 -29.11 42.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -66.85 -37.62 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.0 t -74.54 -56.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -52.1 -44.67 64.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -101.42 30.6 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -65.23 -32.38 74.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.11 -57.28 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.08 -46.71 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.18 -30.86 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.93 37.6 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -94.08 96.1 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.9 mmp_? -54.14 150.32 15.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.564 0.697 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -75.36 -22.22 57.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 12.4 m-85 -94.13 144.32 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 p -127.76 171.16 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -59.25 -25.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.5 p -81.76 8.13 10.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -117.17 13.91 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.6 mt -96.27 129.41 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -55.91 105.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.28 -26.22 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 40.2 t80 -47.81 -54.06 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 t -52.86 -36.96 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.48 -37.95 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.3 mt -48.06 165.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.23 130.42 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.9 m -32.64 -52.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -45.99 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.44 -54.47 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.545 ' HE2' ' CE1' ' A' ' 89' ' ' PHE . 15.3 mtpt -34.99 -59.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.62 -42.37 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 96' ' ' ASP . . . -44.98 -52.87 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 63.0 mt -63.26 -60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' LEU . 14.7 mtpp -35.09 -44.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -48.92 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 99' ' ' ALA . 2.2 mp0 -69.78 -44.92 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.4 mt -107.42 81.56 1.08 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.571 0.701 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.36 -89.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -80.44 154.93 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' SER . 5.7 mtpt -151.48 152.19 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' LYS . 10.8 t -35.57 -62.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 53.77 52.91 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -96.73 69.19 0.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.69 164.72 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -86.92 132.41 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.82 156.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.98 171.56 13.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -161.63 141.19 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -136.34 127.7 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.1 t -125.62 136.5 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -140.57 171.7 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.86 81.07 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.5 m -81.52 131.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.085 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.4 163.56 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 110.71 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.11 117.69 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 155.76 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -171.64 149.98 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.36 137.38 27.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -117.77 174.92 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -72.01 160.59 32.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -115.53 153.37 17.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -174.82 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -138.7 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -152.97 174.3 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.479 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -119.87 132.76 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 m -84.65 168.86 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.55 120.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -110.67 -53.89 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -67.06 153.78 42.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 124.27 1.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.99 117.69 1.04 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -126.64 156.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -118.13 115.45 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.76 113.11 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.59 -40.68 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -121.67 45.43 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.0 m -154.29 129.42 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 81' ' ' TYR . 53.5 mt -67.11 134.78 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.09 -50.12 4.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.87 -42.82 18.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.07 147.96 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -160.92 137.41 8.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.51 132.38 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -174.02 162.96 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -61.34 154.24 24.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.41 130.38 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -69.88 -51.56 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -138.85 158.07 44.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -82.99 48.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' SER . 3.0 mmp_? -114.35 -52.51 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 27' ' ' ARG . 7.2 m -38.37 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 99.4 m -140.51 129.01 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.49 117.47 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -77.68 -18.69 56.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.28 -52.85 36.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.3 p -115.87 20.36 14.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.7 mtm 48.88 38.26 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 29' ' ' THR . 9.0 mm-40 -102.28 173.21 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.4 128.36 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 70.7 mt -84.18 120.41 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' CG ' ' HG3' ' A' ' 41' ' ' GLN . 11.2 pt-20 -89.09 152.31 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -67.42 134.28 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.85 -40.21 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.485 ' HG3' ' CG ' ' A' ' 38' ' ' GLU . 35.2 mm-40 -67.82 123.12 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.88 138.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 23.3 ptt180 -150.98 152.86 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -116.91 155.29 29.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -120.04 136.38 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CE ' ' HB3' ' A' ' 75' ' ' LEU . 24.0 tttt -123.22 111.21 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -78.3 115.78 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.0 ptm -162.51 161.36 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.2 t -96.86 132.2 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.43 132.92 60.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.95 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.4 -50.88 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -114.37 75.04 3.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.54 0.686 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.05 37.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.76 -40.49 92.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.86 -42.56 90.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.08 -134.08 12.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.1 124.98 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.79 169.08 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.36 110.97 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -110.9 167.37 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.637 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 44.8 m95 -128.01 153.86 46.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 4.0 m-85 -150.18 171.83 16.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -85.33 144.66 41.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.26 33.05 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.5 -36.34 62.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.2 m -74.58 -32.98 62.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' CD2' HD23 ' A' ' 44' ' ' LEU . 41.5 t80 -58.0 -38.39 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.3 t -75.91 -55.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.78 -42.64 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.409 ' O ' ' CD1' ' A' ' 75' ' ' LEU . 11.1 m-20 -101.19 34.93 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 28.8 ptt-85 -70.95 -54.22 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.44 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.4 mt-10 -58.98 -63.22 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 75' ' ' LEU . 3.0 pt-20 -39.65 -45.27 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.47 ' HB3' ' CE ' ' A' ' 46' ' ' LYS . 27.6 mt -72.95 -35.84 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.44 40.84 1.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 43.9 t80 -91.22 92.75 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 44.4 mtt85 -50.43 152.48 3.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.77 35.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 6.8 pt-20 -64.94 -22.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 5.9 m-85 -84.54 133.38 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 p -129.22 166.68 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.451 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -54.47 -39.19 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.542 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.1 t -58.73 -38.08 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -66.15 -34.89 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 83' ' ' ALA . 62.8 mt -51.09 130.48 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -67.34 121.46 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.77 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 26.4 t80 -83.05 -51.29 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -53.71 -36.01 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.1 149.72 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.6 139.91 55.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.6 m -44.14 -42.29 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.2 -58.56 2.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 97' ' ' LYS . 2.9 p30 -66.59 -47.05 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 17.7 mttm -37.85 -68.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . 32.5 mt-10 -46.44 -38.77 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.65 -44.68 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLN . 52.5 mt -70.21 -55.7 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' NZ ' ' HA ' ' A' ' 98' ' ' GLU . 7.7 mtmp? -38.2 -47.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.38 -38.4 74.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 7.6 mm-40 -61.83 -51.27 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.08 76.88 1.91 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.98 36.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.59 -99.31 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.2 m -85.63 135.79 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -148.47 122.26 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.2 m -106.53 144.35 33.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -170.99 168.7 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.24 -153.02 13.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -139.2 -179.94 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.74 158.66 43.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.58 150.32 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.28 167.66 21.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.94 173.36 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -156.22 163.4 39.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.52 143.11 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -103.66 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -96.5 -142.36 13.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 122' ' ' ASP . 7.4 p -158.19 137.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.456 ' N ' HG21 ' A' ' 121' ' ' VAL . 7.4 m-20 -83.25 165.83 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -111.19 178.37 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.38 145.98 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.12 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.79 130.87 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 128' ' ' LYS . 13.3 pttp -163.74 147.06 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -36.17 111.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.4 p -48.27 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -157.37 150.46 21.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -172.59 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t 66.85 42.44 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.6 p -87.56 139.36 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.801 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.51 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -71.3 138.04 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 54.69 42.12 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.01 161.57 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -157.4 142.36 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -124.73 126.23 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.97 177.98 19.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.92 128.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -134.18 112.73 11.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -108.84 124.89 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -95.36 177.27 5.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -75.48 80.82 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.445 HG21 ' CG ' ' A' ' 87' ' ' LYS . 47.0 m -150.11 138.32 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' A' ' 81' ' ' TYR . 40.8 mt -74.78 97.84 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.18 -48.28 47.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -49.15 -34.17 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 93.7 m-85 -106.67 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.9 148.59 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' CB ' HD21 ' A' ' 44' ' ' LEU . . . -134.36 127.08 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -168.9 177.21 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.15 135.63 36.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . . . -62.25 151.23 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -92.53 -49.79 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -133.54 156.17 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -81.53 45.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -100.58 -54.45 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 m -50.82 132.31 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.421 HG21 ' C ' ' A' ' 35' ' ' GLU . 67.1 m -122.89 143.33 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 46.3 t -76.46 151.79 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' HE3' ' C ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.53 -26.63 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.07 -51.29 40.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -98.86 -15.55 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp 61.28 47.3 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' C ' HG21 ' A' ' 29' ' ' THR . 4.7 pt-20 -132.49 138.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 144.57 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.7 mt -92.83 125.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.25 141.13 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -66.37 140.38 58.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.43 -41.11 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.71 136.92 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.68 137.6 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' A' ' 23' ' ' ALA . 31.6 ptt180 -137.72 171.58 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD21 ' CB ' ' A' ' 20' ' ' ALA . 5.8 mt -144.64 128.34 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.554 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.2 p -106.98 126.09 51.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 ttpp -114.78 118.19 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -65.71 104.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ptm -164.18 159.88 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -89.36 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.61 126.31 47.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.3 34.5 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.783 2.322 . . . . 0.0 112.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -103.46 -42.22 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -122.34 84.5 46.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.79 7.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.377 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -61.52 -53.14 60.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.8 -36.57 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.57 -133.36 11.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -64.16 120.29 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.446 HD12 ' CZ ' ' A' ' 61' ' ' ARG . 6.4 pt -145.3 150.64 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.16 110.37 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' CZ ' HD12 ' A' ' 59' ' ' ILE . 18.2 mmt-85 -101.78 173.62 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.554 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 99.1 m95 -138.83 150.71 46.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.87 125.57 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 43.2 m80 -55.76 151.18 23.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.91 -41.39 32.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.68 -35.61 74.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -74.99 -31.27 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.06 -43.94 97.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.01 -45.59 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -64.03 -59.42 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -87.89 31.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.8 ptm180 -67.29 -41.15 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 17.0 mm-40 -65.37 -67.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' HB2' ' CE ' ' A' ' 112' ' ' LYS . 4.4 tm-20 -41.68 -49.3 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.428 HD21 ' CE ' ' A' ' 46' ' ' LYS . 28.8 mt -57.24 -33.98 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.61 42.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.567 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 5.4 t80 -88.43 99.43 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -49.41 156.19 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -26.35 27.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.77 28.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 4.3 m-30 -109.4 136.98 47.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -132.63 172.06 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.9 p -60.3 -13.69 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.32 15.17 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.0 mt -98.75 137.5 37.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' CG ' HG21 ' A' ' 14' ' ' THR . 13.1 mtpp -64.0 113.5 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.97 31.61 9.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 t80 -79.64 -38.37 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 t -65.45 -33.49 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.07 -45.64 91.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.2 mt -44.47 166.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.68 137.54 35.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ALA . 55.2 m -36.72 -47.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.15 -55.05 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -49.41 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.87 -51.78 54.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.95 -48.11 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -48.54 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -50.08 -50.85 46.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -55.38 -49.97 70.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 -59.58 -46.65 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.75 76.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.392 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.35 -83.5 0.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -102.24 125.32 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 60.9 tttt -161.32 131.62 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 p -133.49 103.97 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -89.5 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.99 168.9 16.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.402 ' CE ' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -163.04 167.83 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -131.96 175.7 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -113.88 174.62 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -152.24 -155.22 6.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -97.0 176.38 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.316 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -154.46 132.42 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 119' ' ' ASP . 87.3 t -105.98 145.6 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.439 ' N ' HG11 ' A' ' 118' ' ' VAL . 9.9 t70 -153.43 139.21 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -169.51 126.52 1.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.4 p -137.07 135.97 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -158.22 160.08 36.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -171.31 165.47 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.8 t -89.39 126.23 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.53 104.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -146.4 128.92 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 82.63 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.66 125.36 38.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.8 m -148.44 136.17 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.53 -162.94 21.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.59 3.59 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.8 p -158.34 120.13 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 57.3 p -172.95 116.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.464 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -170.37 156.47 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 p -118.54 160.67 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.89 -161.62 10.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -158.21 168.77 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -127.47 177.86 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.01 154.39 24.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.78 134.34 2.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -170.34 122.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.407 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -129.04 178.16 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.3 98.15 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -153.59 163.67 39.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -83.52 42.32 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -102.7 155.46 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.82 119.49 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 -47.26 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -52.82 -42.07 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 98.3 m-85 -103.42 130.6 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.0 140.72 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.24 126.92 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -168.67 169.35 10.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -65.35 154.27 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.5 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -87.75 -49.25 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -138.79 151.76 47.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -82.53 40.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -92.2 -58.56 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 t -50.9 158.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 m -140.24 132.04 27.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.5 t -64.82 152.64 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -101.02 -26.47 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.65 88.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.63 -4.65 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.3 mtm 52.91 43.98 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -127.31 142.0 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 151.59 8.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -99.45 123.76 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.04 128.19 35.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -59.79 141.22 55.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.81 -33.08 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -66.83 140.89 57.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.01 145.24 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -152.44 164.97 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.5 mp -130.82 157.63 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.2 p -125.87 146.46 49.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -137.92 114.83 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 12.0 ttmt -79.03 123.64 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.8 ptm -164.17 156.98 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.6 t -84.73 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.09 122.75 88.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -26.54 27.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -81.97 -41.8 20.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -118.66 82.21 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.21 35.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.29 -43.72 90.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -58.66 -54.23 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -131.94 10.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.472 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -68.76 121.68 17.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 pt -134.75 166.61 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.95 122.15 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -108.91 168.4 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.61 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 86.5 m95 -133.24 152.48 51.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 31.4 m-85 -157.33 129.99 7.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.562 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 32.4 m80 -52.1 148.36 11.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.603 0.716 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.99 -32.2 17.59 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.94 56.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 m -79.95 -33.65 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.519 ' CD2' HD22 ' A' ' 44' ' ' LEU . 30.8 t80 -58.68 -33.43 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.39 -51.3 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -56.05 -45.35 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -98.15 25.32 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -60.98 -46.15 91.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -74.7 -48.04 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.54 -45.45 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.2 mt -67.93 -35.98 79.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.446 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 12.2 t80 -89.31 102.68 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.534 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 39.6 mmt180 -61.84 153.01 74.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -11.34 30.68 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.662 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 5.0 pt-20 -78.51 -15.97 58.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CE1' ' CG ' ' A' ' 80' ' ' GLU . 2.0 m-85 -92.92 130.56 38.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.4 p -125.52 173.84 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.17 83.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.539 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.3 m -53.44 -36.63 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -74.62 -34.95 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 95.4 mt -52.05 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -45.46 115.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 119.93 -35.08 3.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.4 t80 -41.23 -60.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.0 t -51.41 -27.17 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.0 mt -82.37 -39.47 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 71.7 mt -49.39 148.3 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.7 132.93 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 8.6 m -33.67 -66.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' THR . 12.4 pt-20 -37.62 -46.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -71.64 -51.07 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -38.88 -57.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.03 -49.32 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.39 -46.4 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.66 -47.9 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -44.32 -49.61 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -55.68 -53.28 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -57.13 -50.3 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.61 81.87 3.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.18 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.94 -102.76 2.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.01 137.64 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.407 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -170.41 136.64 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -132.66 110.2 10.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 2.5 pp20? -99.66 39.8 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.28 -54.5 3.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 43.58 40.9 3.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -96.17 102.26 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.53 163.14 19.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 170.11 90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -164.5 135.8 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -157.57 177.76 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.21 140.83 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -152.26 155.55 37.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.67 109.02 1.69 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.28 134.14 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.34 141.36 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.29 144.76 49.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 125' ' ' ALA . 85.0 t -83.3 137.09 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.438 ' N ' HG12 ' A' ' 124' ' ' VAL . . . -120.05 92.58 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -129.01 159.74 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -126.61 148.56 49.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 156.39 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 t -121.09 174.78 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -125.45 101.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -174.25 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.709 2.272 . . . . 0.0 112.287 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.1 m -109.3 179.43 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -144.81 148.14 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.47 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -154.32 151.47 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -162.96 169.28 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.27 145.77 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -163.23 147.06 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -151.82 169.97 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.34 16.24 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.48 90.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -109.83 127.21 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.43 -45.53 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.79 22.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -130.44 -34.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 59.96 50.78 6.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 15' ' ' LEU . 30.1 m -148.17 144.75 27.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.43 ' N ' HG21 ' A' ' 14' ' ' THR . 57.9 mt -74.39 114.39 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.73 -36.51 47.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.19 -42.08 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.411 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 29.4 m-85 -101.91 126.57 48.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.58 139.49 46.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.28 123.34 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -164.29 168.53 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -66.2 125.87 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.68 110.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.8 -50.62 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -132.07 150.24 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -84.06 39.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -96.86 -55.9 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -42.86 132.28 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.8 m -119.86 127.06 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.1 t -60.99 155.49 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -102.38 -26.1 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -50.6 43.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 p -100.58 -20.68 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.6 mtm 65.33 50.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.47 138.04 47.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 140.74 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 38' ' ' GLU . 68.4 mt -91.09 139.18 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' N ' HG22 ' A' ' 37' ' ' ILE . 14.1 mt-10 -76.23 153.25 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -83.03 113.56 20.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.3 -39.98 2.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.44 130.42 46.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.6 t -42.71 138.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.555 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 37.6 ptt180 -139.63 172.1 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.2 mt -146.99 136.5 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.483 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 63.2 p -116.85 140.79 49.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -117.85 144.08 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 21.4 tttm -119.27 102.34 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -155.12 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.76 129.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -83.16 128.61 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.89 29.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -87.64 -42.04 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -128.07 83.88 64.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.34 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.61 -30.69 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.37 -44.13 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.64 -122.76 6.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.3 113.9 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.4 pt -124.36 164.58 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -131.04 111.35 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 0.6 OUTLIER -110.58 -178.93 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.555 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 62.2 m95 -138.36 137.0 36.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.3 m-85 -141.76 126.44 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -50.08 154.93 1.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 -38.54 31.56 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.24 -40.46 70.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.2 m -71.79 -40.05 69.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -49.36 -42.97 43.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.09 -48.67 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -55.49 -46.99 76.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -100.52 32.49 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 13.8 ptt180 -67.98 -30.05 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 13.2 pt-20 -87.72 -50.1 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.9 -43.01 69.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.9 mt -67.38 -31.97 72.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.75 42.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -91.72 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -74.19 157.02 87.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.1 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.55 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 12.3 pt-20 -72.07 -22.78 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.55 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 12.6 m-85 -86.58 138.99 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.9 p -130.7 171.6 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -62.31 -33.45 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -66.12 -32.24 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -72.02 -31.27 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.411 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 40.4 mt -51.11 129.97 25.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -63.4 108.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.93 33.23 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 37.7 t80 -81.99 -48.54 11.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -59.39 -33.66 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.73 -36.35 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.416 HD12 ' CD1' ' A' ' 100' ' ' LEU . 78.6 mt -49.69 172.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLU . . . -91.26 131.76 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ALA . 89.0 m -34.05 -33.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.6 tt0 -76.67 -48.19 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -63.53 -41.78 98.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -45.49 -58.68 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.83 -46.23 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.25 -41.05 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' CD1' HD12 ' A' ' 92' ' ' LEU . 93.4 mt -78.13 -33.04 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -66.36 -40.54 89.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -67.03 -25.56 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.06 -44.39 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.65 88.5 7.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.82 31.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.397 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.89 -133.61 11.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -38.14 157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -116.03 103.68 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 p -112.13 160.88 17.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 66.26 45.01 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.26 -174.66 20.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 157.19 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -120.25 149.6 42.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -164.94 139.01 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.69 -134.54 2.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.4 112.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -91.17 91.22 8.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 119' ' ' ASP . 88.4 t -90.25 138.72 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.425 ' N ' HG11 ' A' ' 118' ' ' VAL . 0.6 OUTLIER -149.73 138.08 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 145.49 -163.88 28.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t 59.46 49.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.35 115.61 25.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 124' ' ' VAL . 26.4 mt-10 -106.31 44.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' GLU . 8.7 t 33.18 54.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.89 133.24 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.19 159.54 17.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -154.81 162.65 41.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -144.71 155.5 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.3 p -165.09 171.71 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -149.95 155.1 26.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m 47.84 41.65 14.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -94.04 158.8 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -126.5 161.86 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -143.86 154.03 42.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.82 96.95 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -130.5 138.61 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -149.76 131.39 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.85 -133.88 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.85 149.5 5.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -106.69 128.6 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -148.08 124.17 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.97 76.02 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -146.77 161.12 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -91.51 83.26 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 15' ' ' LEU . 54.6 m -151.27 144.02 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD21 ' CZ ' ' A' ' 81' ' ' TYR . 20.4 mt -83.14 96.04 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -53.49 -56.13 21.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -34.16 -44.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.0 148.34 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.97 140.47 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.91 135.04 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.01 167.02 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -70.61 125.97 28.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.88 136.71 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -82.08 -53.31 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 151.96 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -81.09 49.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' SER . 54.6 mtm180 -103.69 -65.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ARG . 72.7 m -35.98 144.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -132.63 127.75 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -62.2 153.74 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -100.32 -33.45 10.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.48 -55.78 28.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.3 p -97.35 -6.11 34.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.4 mtt 52.62 51.3 16.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.6 146.17 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 159.16 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.403 HG12 ' NE2' ' A' ' 64' ' ' HIS . 72.8 mt -108.74 127.32 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -65.44 140.87 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -70.52 113.89 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.71 -44.26 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.31 129.77 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -43.34 132.71 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.565 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 38.2 ptt180 -131.88 175.83 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.35 139.04 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.568 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 59.7 p -121.5 152.56 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -138.9 110.62 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.25 117.26 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 48' ' ' MET . 4.8 ppp? -163.59 159.45 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.69 138.81 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.88 122.57 78.12 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -19.04 36.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -86.36 -39.33 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -122.63 77.37 47.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.87 -43.1 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.41 -54.86 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.79 -116.56 5.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.2 OUTLIER -79.46 113.71 17.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.5 pt -127.94 158.74 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.07 128.09 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -114.03 173.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 86.2 m95 -138.28 146.56 42.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 95.9 m-85 -154.39 125.71 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 35.4 m80 -52.93 151.5 8.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.812 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.06 -41.65 33.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.45 92.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.4 m -70.81 -38.45 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.95 -44.9 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.72 -54.21 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -47.01 -53.28 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -99.37 33.14 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -60.2 -44.69 94.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.98 -46.24 30.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.04 -47.12 84.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 mt -60.37 -33.92 73.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.91 43.52 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 81' ' ' TYR . 6.2 t80 -100.88 95.28 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -41.06 154.52 0.22 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' GLY . 53.7 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.3 21.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 4.8 m-30 -107.0 137.05 45.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -131.36 171.26 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -66.75 -32.42 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.566 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.1 m -52.62 -42.24 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -36.7 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 83' ' ' ALA . 62.4 mt -52.47 126.98 21.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 mtpt -57.99 150.44 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 82.51 -38.24 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 84.5 t80 -35.7 -54.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 t -56.65 -40.19 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' GLY . 44.2 mt -66.86 -42.84 85.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.5 mt -47.97 167.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.33 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -40.89 -53.4 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.93 -55.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.48 -52.39 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 21.7 mttt -41.29 -45.41 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -61.21 -50.45 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.96 -55.55 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.6 mt -53.15 -62.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -39.21 -55.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -49.64 -38.11 30.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -74.02 -38.92 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.81 94.06 11.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -13.41 34.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 94.59 -112.9 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -55.8 156.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 109' ' ' SER . 25.1 tptt -115.71 145.59 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 20.6 m -36.9 129.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.75 167.63 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -109.93 -176.0 20.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -137.98 134.74 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 51.58 42.25 29.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -87.34 158.38 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.98 -137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -156.51 129.49 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -61.67 150.42 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.0 t -46.8 137.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -148.36 116.32 6.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.28 172.52 29.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.5 t -135.55 116.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -116.4 176.15 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -166.82 156.31 10.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.9 t -145.28 149.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.31 79.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -95.7 148.71 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -56.79 88.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.12 153.28 21.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.4 t -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.96 128.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.13 27.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -114.19 163.1 15.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 m -113.21 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -110.76 141.24 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -106.82 157.39 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.01 -157.84 9.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -156.15 139.77 15.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -171.06 153.02 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.51 35.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.71 106.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.0 p -118.66 154.82 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -175.01 111.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.22 98.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 144.4 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.08 87.64 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 m -148.88 145.3 27.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 81' ' ' TYR . 56.2 mt -53.34 134.88 39.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.48 -43.14 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -88.22 33.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 89.0 m-85 -156.93 135.59 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.92 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . . . -147.29 130.63 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.17 154.08 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -51.6 131.68 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 137.68 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -80.25 -48.43 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m -127.59 161.74 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -94.97 40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 28' ' ' SER . 16.5 mmt180 -99.28 -59.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.6 p -36.67 152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.2 m -140.95 132.28 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.5 t -63.45 155.45 29.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.7 mmmt -103.03 -26.16 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.14 -51.85 31.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -99.19 -23.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmm 68.12 53.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -134.35 135.33 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.14 143.56 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.5 mt -97.75 122.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.77 145.22 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -71.66 115.95 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 114.06 -49.31 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.37 132.0 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.58 137.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.56 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 31.1 ptt180 -134.35 168.92 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 6.8 mt -141.12 138.1 33.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.552 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 54.5 p -127.81 150.41 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.88 112.34 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -74.49 117.86 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.15 173.18 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.8 t -106.26 133.22 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.01 124.46 87.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.35 30.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.23 -33.95 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -125.53 78.54 68.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.33 37.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -59.84 -40.36 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -71.29 -51.95 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.8 -125.17 7.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -69.61 124.91 25.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.459 HD13 ' CD ' ' A' ' 61' ' ' ARG . 14.1 pt -142.8 169.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -134.4 109.44 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' CD ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -100.06 178.55 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 56.6 m95 -138.3 150.74 46.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 59.2 m-85 -154.7 132.88 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 33.7 m80 -57.88 152.3 38.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.04 -39.98 33.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.01 -34.04 75.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 m -75.35 -39.01 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -52.72 -45.17 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.96 -49.28 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -55.75 -53.18 59.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.93 30.56 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 19.6 ptt180 -63.72 -44.56 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 12.9 pt-20 -70.44 -44.43 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.07 -55.89 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -57.13 -33.8 67.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.19 39.73 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -91.28 95.02 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -61.64 153.56 70.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.92 4.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.8 -23.35 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.504 ' CD1' HD23 ' A' ' 15' ' ' LEU . 20.7 m-85 -83.06 135.58 34.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.3 p -125.52 161.85 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.496 ' HB2' ' CE1' ' A' ' 89' ' ' PHE . . . -59.02 -31.48 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.8 m -57.68 -35.47 70.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -75.19 -37.22 61.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 39.9 mt -51.62 112.35 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -46.38 135.62 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 96.87 -35.79 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.565 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 87.1 t80 -36.89 -59.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -50.62 -37.84 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' GLY . 66.8 mt -67.9 -42.68 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.4 mt -48.15 142.82 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -60.55 134.87 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.2 m -33.34 -57.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.0 tt0 -35.67 -55.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 97' ' ' LYS . 9.7 t0 -69.09 -49.75 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.6 mtpt -34.89 -51.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -65.75 -49.33 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.09 -57.09 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' LYS . 36.0 mt -58.3 -57.18 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' LEU . 58.0 mttt -35.08 -53.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -49.8 -47.55 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' LEU . 8.6 mt-30 -66.39 -49.34 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.8 mt -115.09 74.88 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -9.08 25.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.77 -88.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 108' ' ' LYS . 2.3 t -101.02 150.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.087 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' N ' ' CG1' ' A' ' 107' ' ' VAL . 2.5 mmmm -83.71 -62.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.2 t -118.69 130.21 55.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.57 -45.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.49 -63.6 4.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -100.08 146.66 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -112.28 165.0 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -42.52 152.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.66 93.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.7 110.9 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.26 153.59 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.93 143.4 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.15 -41.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 140.52 59.27 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.451 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -102.29 88.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.4 162.57 29.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -63.48 135.3 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.73 136.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.37 126.06 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.7 147.42 15.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 130.51 43.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -102.0 143.75 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 m -75.66 144.63 41.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -97.27 171.65 27.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 171.43 14.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 t -114.93 138.44 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.6 p -94.74 176.16 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.491 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 m -91.15 109.66 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -149.48 116.26 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.38 89.67 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -126.26 127.38 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -122.09 139.1 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 57.82 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.79 -139.18 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -167.22 137.32 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.953 0.406 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.93 132.33 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.88 139.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.2 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -133.01 94.92 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -143.76 151.93 40.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.13 122.79 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.01 -50.62 4.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -47.7 -41.05 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -102.56 139.82 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.55 135.62 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.418 ' C ' ' HG3' ' A' ' 21' ' ' GLU . . . -111.44 131.62 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 3.6 mt-10 -154.24 -176.21 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -96.22 135.82 37.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -65.66 80.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' ALA . 45.2 tttp -34.34 -45.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p -135.81 156.1 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.06 38.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -91.11 -59.52 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -46.1 146.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.407 HG22 ' C ' ' A' ' 35' ' ' GLU . 27.2 m -133.96 132.97 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -66.0 149.0 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -99.41 -23.37 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -41.98 84.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.6 p -109.94 -18.8 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt 66.81 46.78 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' C ' HG22 ' A' ' 29' ' ' THR . 3.6 pt-20 -132.2 140.86 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -49.29 152.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.406 HG12 ' NE2' ' A' ' 64' ' ' HIS . 71.7 mt -105.25 99.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -38.26 154.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -80.13 137.28 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.37 -33.92 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -55.44 135.61 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 37.9 t -53.47 139.52 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -135.79 161.2 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.33 132.86 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 24.6 p -108.69 151.92 25.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.1 tttm -138.01 112.02 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.473 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -75.28 114.68 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.43 ' N ' ' HE1' ' A' ' 58' ' ' MET . 5.6 ptm -164.55 161.64 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.5 132.05 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.39 126.79 87.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.42 37.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.51 -37.27 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -126.97 80.38 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -0.08 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.41 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -46.78 11.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.92 -53.89 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.68 -137.38 13.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -67.87 118.21 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HD13 ' NH1' ' A' ' 61' ' ' ARG . 10.6 pt -123.95 169.48 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 111.01 16.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.569 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 8.8 mmp_? -96.0 173.51 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 97.4 m95 -138.74 146.63 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.8 m-85 -157.04 140.26 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -68.35 151.68 97.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.95 -40.23 32.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.1 94.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.94 -44.12 73.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -46.57 -35.05 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.81 -38.29 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -55.2 -49.53 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.35 34.92 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.54 -38.49 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.57 -47.51 12.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.04 -44.45 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.5 mt -61.16 -35.93 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.67 37.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -88.52 124.92 34.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -87.08 156.02 54.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -98.13 -26.52 14.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -80.14 119.67 23.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -120.73 177.86 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.72 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.422 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 46.4 t -56.98 -21.92 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -83.76 -33.66 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -52.45 138.23 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 34.5 mtpt -62.62 155.33 26.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . . . 35.87 39.83 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 12.4 t80 -83.03 -43.11 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 t -64.0 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.05 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.1 155.23 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 132.31 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -39.59 -53.11 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.64 -53.0 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -63.54 -43.31 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.04 -40.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.05 86.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.18 -36.12 79.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.97 -46.95 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.7 -44.69 73.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.75 -45.42 89.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.52 81.21 1.76 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.67 37.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 103.06 -139.5 14.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 106' ' ' GLY . 1.1 t -31.75 125.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -76.76 -36.11 57.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 t 72.25 37.82 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.04 153.16 32.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -127.95 96.19 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -161.85 131.23 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -89.19 98.74 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -73.4 -44.34 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.37 162.61 11.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -99.75 161.64 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -121.61 148.23 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -94.46 113.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -78.08 137.9 38.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.37 164.97 38.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.58 145.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -43.93 104.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' VAL . 15.3 pt-20 -115.48 142.94 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 123' ' ' GLU . 20.7 t 35.17 48.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.0 130.17 55.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -41.96 160.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 98.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 173.18 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -49.86 107.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.23 -82.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.83 11.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 133' ' ' SER . 30.5 p -157.44 140.38 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.811 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 132' ' ' SER . 74.8 p -36.92 116.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.466 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -141.16 166.19 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -171.47 145.29 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.91 135.87 1.89 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -157.4 141.11 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -146.5 167.36 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 177.4 31.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.96 162.28 28.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.9 p -138.61 132.45 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -154.35 134.23 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.93 41.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -103.25 175.81 5.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -91.66 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.42 HG23 ' CG ' ' A' ' 87' ' ' LYS . 2.9 m -107.58 132.33 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -45.68 161.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.18 -48.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -91.95 39.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 86.0 m-85 -155.21 127.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.93 155.86 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.71 123.26 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -171.31 166.87 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.71 128.78 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 38' ' ' GLU . . . -40.67 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -51.89 -40.56 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -134.99 162.07 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 48.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -122.46 -11.03 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -75.25 153.36 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 94.8 m -135.53 129.24 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 49.6 t -68.02 123.0 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -81.71 -22.55 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.5 97.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.6 27.19 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm 40.64 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 29' ' ' THR . 2.0 mm-40 -104.27 166.93 10.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.43 133.35 46.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.9 mt -92.43 130.85 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 mp0 -87.1 166.13 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.0 tttm -89.11 127.59 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.87 -29.07 9.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -78.87 140.1 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.73 134.44 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 33.6 ptt180 -137.68 170.03 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mt -140.68 144.61 35.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.483 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.7 p -129.63 160.88 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 23.3 tttm -142.53 118.05 10.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -71.83 113.11 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ptm -164.21 163.39 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.57 150.64 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -89.71 123.44 66.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.03 37.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.09 -49.33 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -115.23 82.05 8.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.232 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -52.15 -33.4 40.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -73.49 -51.65 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.54 -124.81 8.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.8 mmm -72.78 125.63 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.7 pt -139.46 166.64 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.51 110.8 16.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -101.08 170.58 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.6 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 30.7 m95 -135.51 151.34 50.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 3.6 m-85 -153.33 159.9 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -75.94 149.26 82.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.96 -36.24 26.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.64 -33.25 52.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -78.81 -26.47 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -65.95 -35.51 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -77.21 -52.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -49.31 -38.14 26.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -111.47 34.04 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -68.85 -41.04 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.59 -47.88 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.34 -51.41 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.6 -35.8 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.32 35.42 1.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 6.1 t80 -94.19 104.3 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 35.1 mmt180 -60.25 150.88 70.16 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.57 12.27 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -99.14 19.89 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 20.8 m-85 -116.93 152.49 34.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 p -131.79 -179.67 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.541 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -87.06 -20.68 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.2 p -74.73 -4.69 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -107.91 21.13 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 75.4 mt -96.16 134.62 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' CG ' HG23 ' A' ' 14' ' ' THR . 24.3 mtmt -57.38 111.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.35 28.7 13.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 34.3 t80 -81.12 -44.52 17.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -63.78 -17.02 62.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -79.24 -38.38 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.63 156.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -74.48 130.62 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ALA . 12.3 m -34.0 -48.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.86 -49.19 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' ALA . 13.7 m-20 -74.87 -48.56 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -38.15 -47.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.28 -45.54 90.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.66 -60.34 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.33 -53.42 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -46.06 -46.69 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -65.09 -48.27 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.47 -36.47 73.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.56 79.67 2.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.33 -89.61 1.11 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 t -100.93 148.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -175.01 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 t -84.9 132.81 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -115.35 -67.72 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 168.65 -137.27 4.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -128.5 148.83 50.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -135.87 168.32 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -169.67 111.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.44 -165.05 34.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -170.21 175.41 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 2.9 pp20? -161.95 117.94 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.08 129.83 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.36 162.41 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -145.11 162.67 28.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -97.94 149.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.179 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -175.56 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -151.75 108.94 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.2 133.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 141.38 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 54.99 44.3 28.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -51.49 123.84 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -38.07 147.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -68.88 161.41 28.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.96 73.11 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -176.45 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.3 m -92.41 96.7 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 p -98.24 167.71 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.453 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -156.22 163.1 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 p -155.49 170.6 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.01 61.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -112.41 155.18 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -166.12 158.14 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.89 -173.34 13.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.65 -123.52 1.74 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 t -142.75 148.84 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 99.07 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.9 142.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.7 -39.39 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -121.51 47.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -145.99 143.06 29.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -89.09 115.54 26.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.25 -52.09 11.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.458 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 31.2 p-10 -38.55 -41.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 82.2 m-85 -102.79 134.09 46.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.71 130.22 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.26 115.71 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.64 175.22 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -73.95 115.3 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.87 113.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.96 -43.3 91.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -136.55 159.98 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -83.77 43.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -110.23 42.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 37' ' ' ILE . 1.8 m -134.55 146.46 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 94.5 m -137.99 130.2 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.55 125.55 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -80.44 -25.97 38.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.98 -50.36 66.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -118.79 27.33 8.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' CYS . 31.0 mtm 37.31 39.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 29' ' ' THR . 5.1 mm-40 -99.56 169.64 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 131.02 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 22.3 mt -87.57 118.1 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.47 166.98 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -82.59 129.49 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.65 -42.76 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -53.42 124.52 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -43.08 126.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.636 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 33.4 ptt180 -131.57 146.14 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 86' ' ' LEU . 9.9 mt -117.97 122.65 43.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.518 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 52.3 p -100.92 137.39 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -121.0 136.65 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -82.48 104.58 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -163.67 149.5 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.62 145.1 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.11 123.72 84.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -12.09 32.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -94.23 -34.1 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -134.42 80.45 51.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -14.0 35.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.38 -22.08 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.83 -46.34 11.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.59 -134.9 11.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.42 130.22 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.3 pp -150.18 141.08 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.9 128.24 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -126.6 177.99 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.636 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 29.8 m95 -139.1 141.91 38.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 1.3 m-85 -137.57 174.07 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -88.42 144.69 34.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.02 -38.46 31.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.632 2.222 . . . . 0.0 112.344 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.61 -37.36 46.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -75.02 -25.34 58.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 75' ' ' LEU . 41.0 t80 -66.55 -42.15 87.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.21 -48.07 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -52.83 -43.34 65.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -105.48 32.21 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 18.6 ptt180 -62.71 -50.32 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' ARG . 8.1 pt-20 -63.59 -46.03 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.69 -52.3 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 HD11 ' CE1' ' A' ' 68' ' ' PHE . 25.5 mt -55.29 -27.71 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.42 42.82 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -105.62 106.39 16.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.99 154.3 92.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -24.23 29.91 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.45 -14.97 62.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -93.03 138.82 31.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.0 p -125.35 166.84 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.469 ' HB3' ' CE1' ' A' ' 89' ' ' PHE . . . -49.25 -31.05 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.555 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 3.1 t -64.01 -35.62 81.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -67.95 -29.25 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 44' ' ' LEU . 81.4 mt -59.08 118.64 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.83 122.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 107.61 -34.67 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 88.1 t80 -34.88 -65.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -46.21 -35.77 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.8 mt -72.96 -36.87 67.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 85.2 mt -55.05 144.85 22.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.7 151.14 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.5 m -49.02 -59.47 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -40.42 -44.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -68.6 -50.7 49.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.544 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 23.8 mttt -42.61 -53.83 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.76 -44.31 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.38 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.1 mt -74.05 -53.62 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -39.23 -42.39 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -59.5 -53.92 52.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -61.94 -49.98 73.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.29 77.36 2.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -23.26 31.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 121.74 -165.0 14.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 106' ' ' GLY . 1.2 t -32.04 117.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -97.16 38.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 t -44.74 -53.49 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.57 113.91 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.19 -131.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -128.69 154.12 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -179.99 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -119.11 -43.83 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -141.57 135.31 6.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.95 117.79 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -120.3 84.62 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 119' ' ' ASP . 14.8 p -68.28 139.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 118' ' ' VAL . 0.9 OUTLIER -80.8 80.83 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -88.97 80.13 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.9 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -49.62 138.65 13.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.75 155.47 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 54.3 t -48.2 156.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.179 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -58.14 137.58 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -134.52 148.01 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.56 141.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -102.74 141.34 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.1 t -70.75 146.04 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.25 159.12 29.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.81 3.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.2 m -103.23 175.92 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.2 m -85.56 171.5 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.493 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 p -126.3 170.51 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 110.866 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -99.5 166.25 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.84 98.39 1.04 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -146.15 136.79 24.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 39.67 50.65 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.08 98.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.8 166.85 11.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -164.02 160.53 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.827 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.6 155.67 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.81 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -124.58 -38.2 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.23 3.92 9.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -101.35 152.27 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD21 ' CE1' ' A' ' 81' ' ' TYR . 15.1 mt -102.02 129.99 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.07 -49.43 8.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.473 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 50.4 m-85 -104.82 133.62 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.07 131.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.79 132.71 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.89 160.18 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.13 129.67 41.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.03 127.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' SER . 11.5 ptpt -73.35 -31.67 64.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 58.5 m -138.6 163.86 30.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.467 ' N ' ' HB2' ' A' ' 39' ' ' LYS . 1.4 p30 -100.34 35.08 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' SER . 31.4 mmt180 -112.18 -60.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ARG . 49.6 m -33.76 110.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -95.42 138.88 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.502 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.3 t -62.38 154.27 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 24.9 tptt -100.94 -31.93 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.26 -69.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.6 p -84.12 -19.75 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmm 67.9 49.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -129.08 134.57 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -39.53 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 55.4 mt -129.21 123.14 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 154.06 41.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.467 ' HB2' ' N ' ' A' ' 26' ' ' ASN . 49.9 tttt -87.05 106.14 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 132.11 -31.92 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -65.87 145.57 55.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.11 125.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.677 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 39.6 ptt180 -126.78 177.71 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 86' ' ' LEU . 12.2 mt -146.69 126.24 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 86.9 p -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 38.7 tttm -144.57 112.86 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -77.09 106.96 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.71 159.58 40.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.25 123.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.36 121.73 85.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.306 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.01 -44.63 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -124.44 83.44 57.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -27.69 26.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -39.97 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.03 -35.22 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.3 9.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -64.19 111.19 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.5 173.72 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -131.11 107.74 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.94 171.44 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.677 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 70.4 m95 -133.02 144.02 49.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -147.49 146.1 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.502 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 13.1 m80 -69.63 152.65 96.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -29.41 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.29 -35.2 43.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.7 m -75.65 -23.06 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.7 t -68.1 -56.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -54.49 -44.3 72.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 32.66 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 10.6 ptm180 -70.1 -41.27 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 30.1 mm-40 -79.84 -47.16 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.1 -53.38 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.91 -31.91 42.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.67 2.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 7.5 t80 -89.24 128.35 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.94 153.45 40.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.05 6.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.473 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 16.4 pt-20 -85.16 -15.67 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.499 ' CE1' HD21 ' A' ' 15' ' ' LEU . 15.5 m-85 -106.96 136.87 46.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 72.5 m -128.78 167.53 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.75 -31.1 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -66.27 -34.26 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -69.82 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.465 HD13 ' CD2' ' A' ' 44' ' ' LEU . 69.6 mt -55.94 135.24 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -66.12 138.79 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.82 94.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.84 -42.19 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 m -68.37 -22.57 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.52 -27.42 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.14 169.45 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 96' ' ' ASP . . . -79.41 129.16 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.9 m -41.14 -36.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.76 -44.04 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -85.58 -38.39 18.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -44.07 -52.96 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.67 -43.3 97.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.49 -50.9 70.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.68 -41.3 94.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.02 -36.65 73.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -78.49 -48.45 15.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -57.93 -48.68 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.73 84.77 5.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.29 -101.28 2.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.7 m -74.4 153.12 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -144.09 121.1 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -123.18 176.09 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -123.92 113.85 19.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.73 88.71 0.17 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 113' ' ' ARG . 12.3 ptmt -133.22 178.08 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' LYS . 10.8 mtp180 33.93 54.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -76.29 141.1 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 116' ' ' ASP . . . 147.63 -54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.442 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' GLY . 8.3 m-20 -36.8 134.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -50.65 138.3 18.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.05 123.52 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.53 152.0 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -45.94 147.06 2.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.525 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.4 p -110.82 146.39 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.89 165.12 7.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' VAL . 0.8 OUTLIER -93.62 170.07 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' GLU . 42.8 t 34.8 44.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.13 145.14 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -89.55 118.33 29.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -102.35 145.34 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -133.26 162.0 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 t -60.93 -53.21 60.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 96.52 69.38 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.83 5.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.2 m -117.37 121.33 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.3 m -141.02 171.23 14.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.533 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 p -119.92 124.3 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.818 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -127.96 123.01 33.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.74 87.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -145.06 150.99 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -48.99 -53.15 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.1 -150.89 18.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.16 135.16 4.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -130.08 108.88 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -92.36 99.25 12.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.0 140.77 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.24 -38.02 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -128.55 59.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -136.62 148.4 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.484 HD21 ' CD1' ' A' ' 81' ' ' TYR . 15.1 mt -89.2 123.33 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.2 -45.35 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.3 -41.14 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 82.7 m-85 -102.57 141.31 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.13 138.61 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.32 127.63 44.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.97 178.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -72.99 127.67 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -40.12 -50.02 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -130.37 162.86 28.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -96.49 46.9 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -100.78 -49.96 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -48.03 145.59 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -135.71 127.68 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.1 t -64.04 150.38 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -98.14 -29.42 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.42 40.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 p -98.15 -9.57 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.8 mtt 56.37 48.04 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.85 142.91 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 152.08 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.1 mt -103.14 112.97 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.75 151.48 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -77.9 132.05 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.3 -40.63 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -53.72 133.54 41.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.55 141.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.573 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 32.5 ptt180 -139.09 173.36 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.2 mt -147.94 125.82 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.6 p -108.89 155.38 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 47.5 tttm -144.56 126.13 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -83.5 117.34 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.6 ptm -164.19 171.42 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.8 t -100.22 134.04 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -74.95 127.86 86.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.14 37.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.02 -47.1 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -123.57 82.89 53.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.58 16.5 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -65.77 -45.02 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.02 -47.94 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.81 -120.9 6.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -76.24 103.78 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -117.32 160.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -113.73 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -107.54 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.573 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 67.0 m95 -134.77 154.34 51.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 81.5 m-85 -157.95 126.15 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 34.9 m80 -53.98 153.14 9.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.97 -39.73 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.87 -35.22 65.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -76.89 -29.72 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -66.67 -39.28 88.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.2 t -70.35 -52.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -58.22 -47.57 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -92.88 22.32 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.7 ptp85 -63.13 -19.28 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -82.45 -67.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -41.59 -53.52 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 77.5 mt -56.77 -36.04 69.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.34 43.92 3.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.559 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' TYR . 49.2 t80 -80.14 94.88 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -53.04 148.18 14.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.61 8.73 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.1 -23.3 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.484 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.1 m-85 -87.68 118.09 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -114.8 173.89 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.18 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.474 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 27.5 p -55.32 -39.31 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -76.18 -35.62 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 49.8 mt -50.69 112.52 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.71 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 81.54 -36.0 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 72.5 t80 -34.39 -54.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -42.89 97.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' GLY . 56.9 mt -61.19 -43.66 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 89' ' ' PHE . 19.0 mt -48.56 177.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.81 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -38.61 -50.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.8 -55.87 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.94 -46.98 86.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -41.43 -62.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.02 -40.86 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.56 -54.93 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.49 -48.75 74.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -39.55 -48.39 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.04 -46.94 86.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.28 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.01 86.87 46.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.21 31.23 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.713 2.275 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 104.05 -111.7 3.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.95 138.73 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.37 140.4 30.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.8 t -112.1 -50.78 2.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.61 151.25 39.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 108.81 -55.69 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -155.4 143.78 20.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -69.39 157.87 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -124.35 39.36 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 124.57 162.41 11.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 107.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.86 130.69 43.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.45 HG21 ' N ' ' A' ' 119' ' ' ASP . 7.1 p -44.14 144.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.45 ' N ' HG21 ' A' ' 118' ' ' VAL . 18.1 t0 -149.49 163.31 38.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 132.65 144.54 5.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.73 101.46 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.56 161.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -124.25 174.77 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.3 p -106.17 145.17 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 126' ' ' LYS . . . -165.62 150.78 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' ALA . 17.6 tptt -36.0 108.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -171.64 149.12 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -159.59 138.05 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.5 p -161.53 169.91 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 103.45 70.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.86 18.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.8 p -106.33 86.33 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.3 m -123.79 147.78 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.429 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -174.74 167.55 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.813 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -169.17 174.71 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.64 151.57 6.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -163.33 167.9 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -171.58 164.17 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.91 -174.98 27.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.55 -163.53 11.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 t -162.02 116.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 0.0 110.813 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -163.56 131.88 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.13 105.83 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -135.27 172.98 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.59 47.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 15' ' ' LEU . 20.9 m -137.75 146.55 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 81' ' ' TYR . 66.6 mt -76.47 119.62 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.03 -39.0 13.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.406 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 56.9 m-85 -101.62 138.15 39.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.76 134.12 15.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.7 121.07 39.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -158.89 167.87 28.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.18 133.28 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . . . -44.45 141.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -88.95 -46.58 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.9 p -133.83 160.43 37.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -93.29 39.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -104.78 -54.51 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -43.22 153.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 24.2 m -144.76 125.1 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 t -61.05 155.86 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -102.47 -29.44 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -45.42 95.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -105.73 -19.11 13.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.5 mtm 63.85 53.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -136.63 137.19 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 138.28 26.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.419 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.2 mt -86.16 117.0 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.22 135.01 57.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -65.76 120.01 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.18 -41.84 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -56.4 134.92 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -47.16 147.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 21.1 ptt180 -156.0 162.83 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mp -132.47 153.43 50.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.511 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 28.5 p -131.28 144.78 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -131.43 121.53 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -74.22 116.31 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.7 ptm -161.28 161.06 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.4 t -97.99 139.26 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 40.7 t0 -81.76 124.45 79.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -26.99 26.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.9 -47.14 31.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -118.24 81.99 17.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -16.84 37.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -52.41 -45.34 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.19 -50.77 24.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.58 -119.79 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -66.8 116.19 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 pt -132.55 171.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -119.03 117.12 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NH2' ' OD2' ' A' ' 50' ' ' ASP . 12.2 mmt180 -100.21 167.06 10.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 97.8 m95 -136.54 136.43 39.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -144.78 123.65 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 49.5 m80 -48.58 148.92 3.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.99 -38.66 31.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.23 -34.85 60.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 m -75.97 -38.11 57.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.04 -41.69 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.56 -48.77 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -58.42 -49.24 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.93 32.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -74.2 -46.09 44.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.6 pt-20 -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 41.4 tt0 -62.16 -50.11 73.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.79 -33.1 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.09 42.49 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 t80 -84.93 100.9 11.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 14.5 mmm180 -52.07 154.16 4.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLY . 54.3 Cg_endo -69.73 -25.42 28.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -83.09 29.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 8.8 m-85 -118.29 133.55 55.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -131.83 168.41 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.445 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -65.97 -47.57 74.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 15.2 t -45.14 -38.35 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -72.6 -37.03 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 83' ' ' ALA . 78.6 mt -53.01 100.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -38.63 122.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 112.21 -38.71 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.3 t80 -35.22 -55.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -53.81 -41.76 67.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLY . 81.0 mt -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.2 mt -52.07 171.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.42 149.07 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 m -54.55 -51.32 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.03 -61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.32 -46.86 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 3.2 mtpm? -51.03 -60.25 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -42.56 -42.33 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.21 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 103' ' ' GLN . 38.3 mt -59.55 -55.64 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.3 mtmt -36.68 -48.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.31 -39.02 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' LEU . 30.4 mt-30 -66.96 -50.3 62.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.6 mt -115.98 75.6 5.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.57 21.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 108.91 -112.48 3.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.5 m -93.16 116.64 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -87.82 43.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.7 t -54.26 -53.03 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.09 -43.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.78 -129.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -65.02 114.26 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.8 OUTLIER -122.33 149.1 44.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -51.26 131.27 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.62 -153.5 9.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -132.27 172.19 12.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.64 164.64 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.3 t -117.08 149.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.44 167.02 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 145.15 -178.43 22.93 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 p -94.08 150.46 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.68 174.4 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.85 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.5 m -42.23 160.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.3 175.12 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.27 109.6 2.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -136.78 -178.25 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -112.64 179.56 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -66.15 176.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -136.86 153.37 21.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.9 t -92.8 178.17 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.5 t -111.58 -62.73 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.454 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -140.78 173.6 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -114.44 174.55 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.7 115.9 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -157.48 143.68 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.83 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -174.98 159.02 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.73 139.66 5.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.12 -170.57 33.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -121.92 82.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -115.09 128.71 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.55 107.7 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -158.18 132.52 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.03 45.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -113.74 144.12 43.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 81' ' ' TYR . 42.0 mt -72.28 110.64 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.52 -41.76 24.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.2 p-10 -65.59 -40.14 92.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 98.0 m-85 -102.37 140.12 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.66 150.51 29.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.5 127.65 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.15 171.89 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -74.33 144.35 44.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.93 133.58 54.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.113 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -79.11 -48.54 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.6 m -133.01 159.18 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -88.4 38.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -100.04 -50.97 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.7 t -46.74 153.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -143.51 126.61 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.6 t -61.64 155.54 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.37 -27.25 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.91 93.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' CD ' ' A' ' 35' ' ' GLU . 7.8 p -107.72 -17.04 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 23.2 mtm 62.57 54.38 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CD ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt-20 -136.0 139.07 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 146.43 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 64' ' ' HIS . 81.7 mt -100.22 103.23 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -49.9 145.77 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.24 127.27 32.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.67 -40.03 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.12 125.74 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.9 t -41.18 148.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 34.8 ptt180 -153.94 161.95 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.567 HD21 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -130.91 153.15 49.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.434 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.3 p -124.55 145.47 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 25.0 tttm -132.26 115.24 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 32.6 tttm -78.89 113.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -160.6 167.87 26.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.02 138.63 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.65 129.57 54.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.35 -48.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -115.53 81.61 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -32.29 18.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.5 -47.61 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.09 -45.44 94.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -126.34 7.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.444 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmm -65.26 130.06 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -139.88 168.04 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.66 121.26 42.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -106.27 170.21 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.459 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 98.1 m95 -136.0 139.04 42.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -149.91 122.04 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 36.8 m80 -48.4 149.56 2.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -34.26 22.2 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.29 -33.83 52.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.08 -31.87 56.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.567 ' CD2' HD21 ' A' ' 44' ' ' LEU . 36.2 t80 -61.27 -37.27 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.68 -41.72 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -66.2 -44.54 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -99.74 33.24 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 36.0 ptt85 -71.04 -41.47 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.0 pt-20 -76.33 -46.03 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.9 -49.34 77.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -62.47 -36.01 81.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.86 41.27 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 72.1 t80 -90.49 92.77 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 1.7 mmp_? -41.68 146.73 0.56 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.68 36.34 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.55 -25.28 59.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 18.4 m-85 -80.97 131.99 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -128.59 164.98 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -48.25 -50.96 27.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.557 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 11.3 m -46.44 -36.51 6.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -77.18 -37.83 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.5 mt -50.7 106.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -41.56 120.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.62 -36.35 3.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 76.9 t80 -39.54 -49.87 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -61.66 -38.04 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . 87.5 mt -64.71 -45.4 86.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.5 mt -47.94 157.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.23 149.67 48.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 m -46.93 -42.26 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -61.3 -56.45 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -56.5 -45.13 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.11 -48.97 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.4 -57.78 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.24 -55.38 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -39.94 -52.19 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -49.51 -46.99 49.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -69.16 -48.97 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.32 75.28 4.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -26.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.82 -175.24 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.1 t -41.01 131.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.092 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 161.85 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 t -68.84 -48.2 64.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -64.11 92.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 161.45 167.51 22.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -136.48 136.96 39.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 21.7 ttp-105 -118.02 136.45 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 12.3 ptpt -85.1 -48.26 9.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.458 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 76.0 157.66 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.9 118.47 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.746 0.307 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.82 105.45 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.61 139.75 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -115.71 -36.16 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.15 124.12 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 122' ' ' ASP . 6.5 p -104.99 131.86 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.349 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 121' ' ' VAL . 6.3 t0 34.16 42.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.48 82.36 6.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 m -62.43 -38.88 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.15 105.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -174.86 128.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -100.84 -62.11 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 129' ' ' SER . 63.0 tttt -160.39 147.82 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.413 ' N ' ' HG2' ' A' ' 128' ' ' LYS . 5.6 m -77.38 82.94 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.01 -162.04 9.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -177.93 2.1 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.343 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 t -155.16 156.04 35.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -101.82 165.09 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.434 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 p -116.74 159.9 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -155.1 161.06 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 151.3 6.53 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -156.17 147.53 22.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -166.9 145.28 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.41 172.81 20.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.517 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.15 129.77 2.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -137.55 142.93 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -112.84 168.58 9.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.61 166.48 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -88.3 -38.39 15.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -128.85 86.07 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 ' CG2' ' HG3' ' A' ' 87' ' ' LYS . 97.5 m -164.03 138.4 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD12 ' CD1' ' A' ' 81' ' ' TYR . 37.8 mt -81.82 116.79 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.47 -42.3 10.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.9 p-10 -54.4 -42.1 70.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 94.2 m-85 -102.68 134.55 45.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.26 132.03 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.01 130.38 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -174.87 172.57 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.45 151.15 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.98 158.41 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.15 -48.18 4.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.1 m -139.0 149.3 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.452 ' ND2' ' HA ' ' A' ' 38' ' ' GLU . 3.4 t-20 -78.36 55.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -116.86 -39.67 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -52.44 154.33 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 91.8 m -138.37 127.6 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.9 t -68.0 120.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -73.6 -34.01 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.99 -55.18 25.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -115.13 28.24 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' CYS . 3.4 mmt 36.63 39.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 29' ' ' THR . 4.6 mm-40 -98.87 168.45 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.57 130.6 47.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.92 117.16 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.452 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 mm-40 -72.92 168.37 19.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -84.69 117.54 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 116.58 -48.9 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -52.43 137.55 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.42 141.56 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 14.2 ptt180 -155.96 143.7 19.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.3 mp -109.24 156.9 19.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -127.23 155.53 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -141.78 113.53 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -65.3 116.62 6.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 ptm -161.14 162.8 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.27 133.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.87 121.32 77.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.04 36.65 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.16 -36.78 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -123.89 82.36 55.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.33 37.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.72 -44.61 93.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.09 -47.83 82.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.53 -133.2 11.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.462 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.85 122.72 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 pt -134.15 172.71 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.45 124.41 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -105.67 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 97.2 m95 -136.79 147.06 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 10.5 m-85 -148.39 165.39 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -83.48 145.62 48.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.98 -37.01 28.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.8 -33.37 57.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.04 -28.07 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.522 ' CD2' HD22 ' A' ' 44' ' ' LEU . 32.0 t80 -64.73 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.42 -53.48 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -54.73 -46.67 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -98.91 32.01 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -69.72 -50.86 39.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.86 -48.81 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.75 -56.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.92 -33.28 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.53 1.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 41.4 t80 -92.76 97.69 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 66.8 mtt180 -57.59 151.94 37.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -6.14 17.84 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.469 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 4.3 pt-20 -80.09 -21.82 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 11.4 m-85 -90.15 144.55 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.8 p -132.79 177.93 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 86' ' ' LEU . . . -66.79 -40.84 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 84.8 p -51.38 -38.96 56.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -71.83 -37.32 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 91.9 mt -50.62 110.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 7.8 mtpm? -47.28 133.28 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 96.64 -22.56 39.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 23.6 t80 -49.85 -59.31 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.8 m -53.42 -21.49 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 mt -82.94 -32.26 27.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 78.7 mt -54.18 150.43 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.0 131.78 49.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 77.9 m -32.19 -58.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.88 -55.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' LYS . 22.0 t70 -63.95 -49.64 71.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.3 mtpt -35.21 -63.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -46.01 -62.37 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -37.42 -53.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.04 -39.49 92.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' GLU . 21.9 mtpp -60.64 -42.83 97.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 6.9 ptmt -73.5 -26.04 60.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 34.8 mt-30 -76.93 -49.47 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.95 75.86 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -126.28 5.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 1.8 t -46.7 128.31 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.39 . . . . 0.0 111.121 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -161.15 135.71 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.6 p -103.66 157.09 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -141.45 175.41 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.01 174.56 25.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -131.11 160.65 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 ttt85 -160.17 127.29 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -125.94 167.19 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.46 -51.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -44.38 133.74 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -101.28 177.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.0 t -148.22 138.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -103.27 162.77 12.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -96.71 164.05 22.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.443 HG21 ' N ' ' A' ' 122' ' ' ASP . 9.3 p -148.39 146.14 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.443 ' N ' HG21 ' A' ' 121' ' ' VAL . 1.2 p30 -172.39 174.24 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -124.55 163.75 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 125' ' ' ALA . 13.6 p -91.01 -31.28 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.453 ' N ' HG13 ' A' ' 124' ' ' VAL . . . -65.93 94.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.0 94.01 4.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -166.56 160.85 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.09 136.45 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -73.78 173.48 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -137.91 160.05 25.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 177.64 5.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.4 p -118.36 162.26 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 t -101.97 176.76 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.509 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -151.34 148.82 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -140.85 161.72 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.96 -175.1 38.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -164.69 132.85 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.845 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -53.16 155.66 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.27 -114.39 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.18 75.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -139.39 174.05 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -136.23 177.87 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.16 146.09 19.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.59 33.92 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 62.62 39.34 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -152.35 167.94 27.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.491 HD12 ' CD1' ' A' ' 81' ' ' TYR . 98.9 mt -58.0 121.8 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.64 20.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.1 -40.64 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -104.58 141.2 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.02 139.78 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.06 130.65 52.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -169.98 162.37 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.409 ' CZ ' HD22 ' A' ' 92' ' ' LEU . 37.8 m-85 -67.56 123.35 20.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.66 135.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -77.81 -49.13 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.1 t -137.39 154.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.3 47.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' ' 27' ' ' ARG . 4.8 mmm180 -109.31 -52.95 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -38.57 157.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.498 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 96.5 m -142.0 127.72 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.3 t -64.35 127.04 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -83.27 -27.55 29.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.0 96.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.2 p -126.06 29.95 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' CYS . 7.4 mtp 35.87 39.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 29' ' ' THR . 7.0 mm-40 -99.44 166.35 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.75 132.0 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 126.72 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.22 157.49 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.55 124.67 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.79 -34.67 5.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.442 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.42 130.89 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.78 125.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.55 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 28.2 ptt180 -129.36 149.53 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 mt -125.74 124.55 41.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 64.2 p -108.39 139.7 42.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -121.59 120.82 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -69.88 109.34 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -165.81 158.26 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.9 m -89.49 148.77 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.44 124.9 57.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -18.31 37.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -96.75 -52.06 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -114.2 80.44 5.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.43 14.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.25 -20.58 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -83.66 -43.9 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.22 -136.0 13.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.12 121.93 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 pt -142.15 151.08 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 134.1 40.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -129.55 166.71 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.55 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 99.9 m95 -133.77 152.13 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 55.1 m-85 -156.79 154.61 30.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -71.39 149.15 93.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.98 -38.83 32.13 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.75 2.3 . . . . 0.0 112.313 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.05 -36.46 46.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 m -74.28 -22.95 59.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -70.17 -38.47 75.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.65 -47.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -56.58 -42.83 79.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -98.76 30.91 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.6 ptt85 -69.97 -46.19 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.92 -31.96 73.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.33 -44.87 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.55 -29.41 67.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.85 38.29 3.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 23.7 t80 -84.71 106.62 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.7 156.46 84.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -7.58 21.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.465 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 19.0 pt-20 -79.23 -13.0 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CD1' HD12 ' A' ' 15' ' ' LEU . 10.1 m-85 -96.25 140.26 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -124.88 175.16 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.67 -22.25 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.549 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.9 t -79.41 -8.74 59.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -99.95 8.76 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -90.12 119.75 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -49.98 125.44 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -7.49 76.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 81.5 t80 -59.61 -55.19 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 m -52.22 -28.93 20.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.8 -42.77 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.409 HD22 ' CZ ' ' A' ' 22' ' ' TYR . 65.7 mt -47.24 150.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.57 139.56 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.1 m -43.84 -38.43 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.46 -58.79 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -53.03 -40.94 64.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.491 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 30.7 mttt -48.15 -59.08 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -45.96 -46.12 16.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.19 -45.58 44.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 103' ' ' GLN . 50.2 mt -70.87 -55.33 8.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -39.33 -37.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.48 -44.17 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 100' ' ' LEU . 35.5 mt-30 -64.2 -49.79 70.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.55 78.92 6.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.385 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.48 -107.4 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 108' ' ' LYS . 26.3 m -88.59 125.31 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -32.32 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.9 m -108.52 -61.65 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -62.62 133.72 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -43.21 132.54 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -104.13 124.73 49.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 152.36 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -95.89 111.65 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.51 56.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -156.47 117.03 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -53.02 109.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.45 144.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -162.8 152.91 16.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.32 130.38 7.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.8 p -139.68 123.49 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.128 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' A' ' 122' ' ' ASP . 9.4 p-10 -42.76 101.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -91.4 84.19 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 11.2 p -156.59 160.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -82.14 113.94 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.1 -176.12 3.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.49 137.56 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -133.01 118.27 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -65.81 126.81 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.2 17.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.87 32.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.1 p -79.87 158.58 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.9 p -149.66 177.37 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.7 t 34.7 42.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -117.36 160.93 20.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.64 112.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -166.79 127.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -64.07 97.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.8 81.41 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.3 -171.2 13.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 100.0 p -50.33 153.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -136.62 109.8 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.27 135.06 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -93.47 -38.02 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -128.49 41.95 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.8 m -150.68 133.54 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.19 139.38 57.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.33 -38.79 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.86 -49.46 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CE2' ' HG2' ' A' ' 46' ' ' LYS . 9.5 m-85 -102.95 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.61 155.57 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HB2' ' CD2' ' A' ' 44' ' ' LEU . . . -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.74 161.39 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -65.87 129.45 39.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.68 137.25 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -85.96 -41.03 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -137.13 148.43 46.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.6 38.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.455 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 mmp_? -93.34 -52.41 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 t -46.48 150.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 m -142.07 127.6 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -61.37 155.71 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -101.98 -29.27 11.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.65 -50.6 60.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.9 -16.26 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.2 mtm 62.36 42.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.26 137.42 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 149.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.404 HG12 ' NE2' ' A' ' 64' ' ' HIS . 93.9 mt -101.09 106.1 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -48.82 149.63 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -79.37 125.24 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.08 -38.09 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -55.82 136.45 51.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -52.82 132.05 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 22.3 ptt180 -131.44 170.1 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 20' ' ' ALA . 6.0 mt -144.97 129.92 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 79.3 p -105.32 155.24 19.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.472 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 6.0 tmtm? -138.05 140.51 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.471 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 31.5 ttpt -108.36 108.62 19.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -152.0 159.82 43.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -88.67 138.68 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.85 128.59 55.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.82 35.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -81.69 -51.89 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -114.9 75.23 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.526 0.679 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.7 36.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.95 -21.53 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.96 -46.13 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.93 -115.71 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -77.68 126.63 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 pt -134.59 157.85 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.38 132.33 53.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.22 175.49 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 93.4 m95 -139.01 146.46 40.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -155.13 127.27 7.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.566 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 46.0 m80 -55.87 153.95 15.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -35.62 25.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.63 -32.36 54.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 m -79.12 -32.81 44.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -58.66 -42.23 87.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.6 -34.02 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -60.95 -59.91 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -96.77 31.86 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -55.42 -43.67 75.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.65 -54.71 6.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -50.22 -47.76 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.61 42.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 11.8 t80 -102.16 91.45 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.567 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 2.9 mmp_? -50.51 155.6 1.79 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -4.61 14.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 4.56 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.567 ' CD1' ' HB2' ' A' ' 78' ' ' ARG . 2.4 m-85 -92.99 148.3 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.3 m -133.23 167.2 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.567 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 60.7 p -59.65 -11.91 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -98.06 19.01 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 32.8 mt -102.0 117.89 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -43.28 107.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.51 -38.76 2.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 17.8 t80 -35.8 -54.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.9 t -55.18 -41.96 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.7 mt -60.37 -42.99 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.94 171.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -88.18 139.24 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 30.9 m -34.94 -56.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -43.19 -54.03 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.43 -49.57 70.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -39.24 -57.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.57 -52.65 59.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.14 -36.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.1 mt -81.04 -42.64 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -58.08 -42.78 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -62.14 -23.44 66.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -89.05 -45.41 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -113.24 75.8 2.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 4.91 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.07 -108.42 3.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.52 142.6 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.36 160.13 26.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 p -57.03 122.92 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 2.2 pp20? -60.1 130.47 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.63 -66.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -96.69 134.69 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.312 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -68.6 117.26 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 116' ' ' ASP . 16.2 tptt -91.18 134.6 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LYS . . . -33.87 95.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 114' ' ' LYS . 6.7 p-10 -47.78 144.68 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -101.86 92.38 4.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.4 141.25 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.11 136.48 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.12 73.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.32 164.1 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.9 116.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.38 114.89 12.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.8 t -91.07 -59.2 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LYS . . . -129.48 81.78 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' ALA . 13.0 ttpp -35.11 135.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -123.02 166.55 14.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.08 123.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.5 p -91.7 167.83 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.8 148.75 24.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.625 2.217 . . . . 0.0 112.373 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -126.81 174.55 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 79.0 p -167.31 176.45 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -133.43 159.23 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -161.6 160.04 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.78 -123.67 7.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p 39.4 42.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -109.93 113.58 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.54 -138.55 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.13 85.96 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -87.36 94.85 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.425 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 109.87 15.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.28 153.17 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -129.7 -39.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -121.91 43.89 2.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -158.58 146.96 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.549 HD12 ' CD1' ' A' ' 81' ' ' TYR . 40.2 mt -73.88 121.23 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.92 -35.4 35.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.91 -40.22 79.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.553 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 83.3 m-85 -101.55 119.79 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.59 149.06 52.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.86 119.89 26.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -162.09 164.57 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -75.74 127.68 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.97 130.17 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' SER . 10.5 ptpp? -75.65 -43.21 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.421 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.3 p -135.58 163.3 30.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.89 40.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -102.04 39.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -138.34 144.95 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 35' ' ' GLU . 97.8 m -138.71 128.25 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.12 121.31 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 25.3 mmtt -79.19 -22.09 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.61 -49.74 62.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -118.96 25.06 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtt 40.97 40.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 29' ' ' THR . 2.4 mm-40 -101.76 168.62 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 128.73 50.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -86.31 124.66 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.54 160.39 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -75.72 137.35 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.1 5.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -65.45 128.02 34.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -44.44 140.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.545 ' CD ' ' CE3' ' A' ' 62' ' ' TRP . 30.4 ptt180 -145.54 147.32 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mt -119.08 115.89 25.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.5 p -96.45 158.43 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 11.0 ttpt -144.14 112.12 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 16.8 ttmt -64.95 114.22 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptm -154.95 169.62 23.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.4 t -96.13 135.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.41 126.81 77.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -24.62 29.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.12 -45.31 41.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -123.91 87.97 52.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.92 21.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 15.8 pt20 -47.53 -46.42 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 34.6 mt -61.47 -50.77 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.34 -125.6 7.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.404 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 46.6 mmm -66.91 132.25 47.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.63 177.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -124.89 126.43 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -120.78 174.98 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 67.3 m95 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 44.9 m-85 -154.41 165.66 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -82.21 143.56 48.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.02 -37.37 29.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.74 -34.89 52.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 m -78.63 -26.96 45.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -69.76 -33.56 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -80.61 -44.19 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.48 -44.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.19 32.79 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -70.5 -32.82 70.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.11 -46.1 71.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.58 -31.4 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.56 43.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 2.5 t80 -96.1 100.08 11.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -63.57 158.3 60.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.8 3.93 2.51 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.628 2.219 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -93.96 -26.45 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.549 ' CD1' HD12 ' A' ' 15' ' ' LEU . 2.7 m-85 -82.97 121.17 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 p -122.59 176.3 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -58.67 -30.75 67.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -76.19 -20.59 57.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.39 -35.86 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.7 mt -51.04 137.28 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -64.87 161.76 17.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.19 32.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 11.5 t80 -86.32 -46.1 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 -32.2 72.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.0 mt -46.55 154.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -66.14 139.33 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' ALA . 97.9 m -37.59 -55.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.5 -42.29 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -69.31 -31.98 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -64.15 -41.15 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.0 -48.1 77.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.08 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.81 -40.47 12.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.88 -41.91 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -51.96 -41.85 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -80.24 -32.31 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.5 mt -114.32 94.02 33.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.39 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 93.05 47.51 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 m -35.27 152.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.383 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -127.48 -50.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.2 m -141.12 173.31 11.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.96 142.62 30.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 -87.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 52.48 43.43 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 114' ' ' LYS . 21.5 tpp180 -65.09 156.89 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 27.2 mmtm -72.77 -56.52 5.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.77 152.01 38.32 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -148.52 158.85 44.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -134.4 114.84 13.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.28 138.01 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -100.19 81.34 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.05 122.21 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.72 91.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 111.069 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.39 119.36 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.63 170.04 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 m -62.53 -39.33 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.29 142.23 31.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -135.72 146.86 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -76.69 163.64 26.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 43.9 t -79.8 -48.89 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.6 86.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.54 18.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.29 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' SER . 93.6 p -172.17 173.63 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' SER . 29.0 t -37.58 -47.36 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.539 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -158.37 141.51 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.905 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -132.19 150.1 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.22 -176.34 26.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -151.67 135.54 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -120.55 146.94 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.5 -48.37 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.45 130.29 6.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -126.76 97.76 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.31 133.83 50.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.3 45.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.59 143.33 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -86.34 81.91 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 15' ' ' LEU . 26.6 m -139.3 142.28 37.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.438 ' N ' HG21 ' A' ' 14' ' ' THR . 40.1 mt -75.92 91.18 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.54 -43.71 28.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 18' ' ' PHE . 3.2 p30 -54.78 -39.58 68.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.445 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 35.3 m-85 -101.63 124.39 47.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.1 135.38 45.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.0 136.17 54.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.98 174.97 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -78.57 123.49 27.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.11 121.97 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -72.98 -44.51 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -137.7 149.53 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -82.28 41.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -96.31 -57.59 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -45.17 140.67 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.1 m -127.75 131.26 49.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.539 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.7 t -66.06 153.11 43.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -26.71 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.4 91.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.9 p -107.01 -15.3 14.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 73.8 mtm 59.96 52.51 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.38 137.02 36.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 145.17 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.413 HG12 ' NE2' ' A' ' 64' ' ' HIS . 94.8 mt -93.05 134.23 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.7 139.68 45.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -71.76 132.19 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.3 -38.26 3.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.43 144.87 50.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 43' ' ' ARG . 96.6 t -57.11 140.53 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.527 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 29.3 ptt180 -138.52 167.69 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -145.76 113.37 6.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.538 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 38.3 p -98.0 151.27 20.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -125.97 135.86 52.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -102.74 111.01 23.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.423 ' C ' ' HE1' ' A' ' 58' ' ' MET . 4.7 ptm -155.22 169.15 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -99.58 149.63 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -96.91 123.56 53.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.22 37.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.54 -45.19 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -124.67 82.56 59.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.88 29.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 9.0 pt20 -61.95 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 38.9 mt -62.71 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.9 -110.17 3.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.427 ' CA ' ' HE3' ' A' ' 58' ' ' MET . 0.0 OUTLIER -97.03 118.7 34.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 0.0 110.858 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 HD13 ' NE ' ' A' ' 61' ' ' ARG . 17.0 pt -111.91 170.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 112.6 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' NE ' HD13 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -103.01 -179.18 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.538 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 62.7 m95 -138.8 148.07 43.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 17.6 m-85 -151.69 132.44 14.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 18.3 m80 -59.04 152.05 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.01 -40.26 33.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -37.64 93.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 m -73.13 -40.31 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -56.35 -42.62 78.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -64.94 -36.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.82 -47.1 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -99.5 32.66 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -71.67 -45.26 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.414 ' CG ' ' HB3' ' A' ' 110' ' ' GLU . 77.9 mt-10 -68.38 -46.39 70.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.67 -45.92 90.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -59.66 -35.96 75.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.28 46.98 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.37 92.96 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.444 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 81.8 mmt-85 -50.86 154.16 2.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.05 3.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.82 -26.39 13.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 13.3 m-85 -77.96 122.79 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -129.01 171.99 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.543 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -46.91 -39.13 11.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -60.03 -33.04 71.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.48 -32.95 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.4 mt -54.6 138.4 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 2.2 tmmm? -73.87 113.68 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.97 33.3 5.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.543 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 79.8 t80 -84.47 -51.16 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -53.56 -31.58 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.8 -38.17 79.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.439 HD12 ' CD1' ' A' ' 100' ' ' LEU . 89.7 mt -45.21 149.47 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -62.64 127.08 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' ALA . 27.0 m -33.42 -51.9 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.3 -48.29 74.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -64.89 -50.09 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.4 mtpt -37.37 -65.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -47.3 -46.96 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.17 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 101' ' ' LYS . 35.4 mt -62.17 -60.78 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 100' ' ' LEU . 33.3 mtpt -34.1 -49.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -50.31 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.46 -49.46 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.19 77.84 1.26 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.42 37.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.47 -90.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.3 m -59.86 169.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.54 41.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.3 p -132.74 145.77 51.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.414 ' HB3' ' CG ' ' A' ' 73' ' ' GLU . 9.4 tp10 -50.89 102.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.2 72.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -175.01 137.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -95.16 42.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt 40.18 43.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.56 154.61 50.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -151.25 124.45 8.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.785 0.326 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -127.21 91.23 3.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -50.52 147.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.32 134.35 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.4 -141.81 4.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.96 150.11 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -104.26 166.81 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 22.2 mt-10 -155.58 150.4 26.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 123' ' ' GLU . 47.0 t 34.96 53.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.57 119.24 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -155.15 173.16 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -130.45 125.53 34.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -130.38 94.93 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.8 m -137.18 164.42 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.59 138.0 13.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 140.11 41.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -129.57 105.54 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 81.6 p -92.02 124.13 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.488 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -122.92 147.52 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 81' ' ' TYR . 62.1 mt -85.29 124.1 31.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -76.06 -60.95 2.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.508 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -38.26 -39.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 73.7 m-85 -101.49 120.63 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 142.87 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.76 138.25 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -168.96 166.04 11.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -65.62 137.72 57.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 92.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -44.61 -48.48 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.9 p -136.44 162.65 32.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -95.3 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -92.7 -53.56 4.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -59.42 158.28 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -140.53 131.47 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.7 t -62.93 152.38 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -105.34 -20.65 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.3 -30.99 64.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.6 p -122.07 -9.39 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.8 mtp 57.85 45.67 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -131.82 137.7 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 153.89 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.7 mt -103.72 102.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.57 137.47 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -59.31 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.8 -45.11 2.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -55.96 126.93 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.33 145.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -149.92 158.22 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 86' ' ' LEU . 2.5 mp -129.54 162.27 28.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 83.2 p -135.35 154.63 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 75' ' ' LEU . 29.3 tttt -137.43 119.38 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 1.1 ttmp? -67.46 116.6 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 ptm -162.48 165.59 25.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 ' C ' ' A' ' 57' ' ' GLY . 49.3 t -99.48 131.29 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.84 126.74 89.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.14 26.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -84.01 -22.89 31.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -133.48 75.97 68.4 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.534 0.683 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.81 37.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 13.8 pt20 -63.61 -41.28 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 14.0 mt -65.08 -48.02 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.583 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 85.23 -131.57 10.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.44 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -64.26 103.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 pt -119.97 175.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -128.31 113.81 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -95.52 173.9 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.412 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 61.0 m95 -136.53 141.26 43.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 12.8 m-85 -147.7 133.91 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 30.0 m80 -53.32 147.68 18.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.97 -35.45 25.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.92 -31.34 62.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -78.8 -33.72 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -59.88 -37.72 80.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 103' ' ' GLN . 58.3 t -70.9 -56.22 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -53.95 -45.08 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -99.08 33.63 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.25 -29.2 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -87.13 -50.26 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.69 -45.32 73.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 46' ' ' LYS . 38.6 mt -64.23 -32.22 73.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.53 1.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.546 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.44 107.88 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -76.31 159.15 80.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -18.53 36.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.298 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.7 pt-20 -64.89 -17.42 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 8.7 m-85 -109.94 129.2 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.0 t -109.2 -175.03 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.09 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.537 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 8.6 t -62.88 -8.5 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -100.72 12.22 37.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 44' ' ' LEU . 74.8 mt -92.57 115.7 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -44.61 110.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . 118.05 -37.49 3.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 92' ' ' LEU . 90.3 t80 -35.81 -59.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.7 t -48.1 -43.08 30.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' GLY . 82.5 mt -64.64 -43.21 94.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 89' ' ' PHE . 53.3 mt -47.46 167.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.62 140.79 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.2 m -39.51 -55.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -43.52 -56.58 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.6 m-20 -62.9 -44.26 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 31.4 mttp -46.69 -64.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.11 -36.4 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -56.68 -35.75 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.5 mt -81.22 -38.09 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.43 -41.69 98.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -64.37 -24.83 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.454 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.7 mt-30 -87.73 -47.05 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.0 85.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.53 3.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -109.4 141.75 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' A' ' 81' ' ' TYR . 16.0 mt -68.12 134.54 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.52 -49.39 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.89 -41.05 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -102.72 132.55 48.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.35 129.12 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 125.32 53.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.41 163.12 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -68.57 147.8 51.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.66 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -64.69 143.95 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -98.61 -41.57 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -134.56 149.23 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.58 42.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -108.99 -59.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -37.91 144.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 m -134.87 137.99 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.0 t -71.1 155.38 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -103.34 -27.81 12.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.3 -46.34 90.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 p -105.58 -22.97 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.1 mmm 70.37 47.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 64' ' ' HIS . 5.6 pt-20 -131.47 139.44 49.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 153.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 64' ' ' HIS . 98.3 mt -108.06 113.13 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.96 144.98 26.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -73.05 129.96 39.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.66 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.45 -34.13 5.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -59.03 137.03 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.642 HG21 ' OD2' ' A' ' 96' ' ' ASP . 79.6 t -55.1 139.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -149.35 161.12 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD23 HD13 ' A' ' 86' ' ' LEU . 3.1 mp -128.93 159.97 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.481 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 89.4 p -138.27 143.16 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -123.74 127.69 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -94.35 113.73 25.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.73 170.1 18.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.3 131.3 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -72.33 127.2 90.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.92 29.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.284 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.25 -46.71 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -119.32 80.29 20.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.45 30.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.38 -42.21 99.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -133.47 11.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.1 mmm -67.59 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.551 HD12 ' HD3' ' A' ' 61' ' ' ARG . 43.6 pt -140.25 163.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.28 110.87 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -105.51 176.84 5.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 80.8 m95 -136.43 146.4 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 38.7 m-85 -148.85 139.0 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 28.6 m80 -60.41 148.86 79.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -35.52 25.3 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.378 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.5 -29.69 65.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -79.29 -29.11 42.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -66.85 -37.62 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 104' ' ' LEU . 58.0 t -74.54 -56.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -52.1 -44.67 64.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -101.42 30.6 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -65.23 -32.38 74.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.11 -57.28 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.08 -46.71 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.18 -30.86 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.93 37.6 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -94.08 96.1 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.9 mmp_? -54.14 150.32 15.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.564 0.697 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 13.1 pt-20 -75.36 -22.22 57.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 12.4 m-85 -94.13 144.32 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 p -127.76 171.16 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -59.25 -25.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.5 p -81.76 8.13 10.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -117.17 13.91 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 44' ' ' LEU . 41.6 mt -96.27 129.41 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -55.91 105.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.28 -26.22 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 40.2 t80 -47.81 -54.06 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 t -52.86 -36.96 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.48 -37.95 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' PHE . 95.3 mt -48.06 165.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.23 130.42 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.9 m -32.64 -52.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -45.99 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -60.44 -54.47 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 89' ' ' PHE . 15.3 mtpt -34.99 -59.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.62 -42.37 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.537 ' O ' ' NE2' ' A' ' 103' ' ' GLN . . . -44.98 -52.87 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 63.0 mt -63.26 -60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' LEU . 14.7 mtpp -35.09 -44.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 103' ' ' GLN . 18.9 mtpt -48.92 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 99' ' ' ALA . 7.7 mp0 -69.78 -44.92 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' A' ' 69' ' ' VAL . 14.4 mt -107.42 81.56 1.08 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.571 0.701 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.0 m -154.29 129.42 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.11 134.78 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.09 -50.12 4.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.87 -42.82 18.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.07 147.96 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -160.92 137.41 8.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -114.51 132.38 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -174.02 162.96 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -61.34 154.24 24.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -66.41 130.38 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -69.88 -51.56 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -138.85 158.07 44.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -82.99 48.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' SER . 3.0 mmp_? -114.35 -52.51 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 37' ' ' ILE . 7.2 m -38.37 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 35' ' ' GLU . 99.4 m -140.51 129.01 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.49 117.47 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -77.68 -18.69 56.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.28 -52.85 36.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.3 p -115.87 20.36 14.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.7 mtm 48.88 38.26 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 29' ' ' THR . 9.0 mm-40 -102.28 173.21 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.4 128.36 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 28' ' ' SER . 70.7 mt -84.18 120.41 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' CG ' ' HG3' ' A' ' 41' ' ' GLN . 11.2 pt-20 -89.09 152.31 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 65.5 tttt -67.42 134.28 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.85 -40.21 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HG3' ' CG ' ' A' ' 38' ' ' GLU . 35.2 mm-40 -67.82 123.12 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.88 138.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 23.3 ptt180 -150.98 152.86 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -116.91 155.29 29.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -120.04 136.38 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CE ' ' HB3' ' A' ' 75' ' ' LEU . 24.0 tttt -123.22 111.21 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -78.3 115.78 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.0 ptm -162.51 161.36 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.2 t -96.86 132.2 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.43 132.92 60.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.95 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.4 -50.88 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -114.37 75.04 3.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.54 0.686 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.05 37.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.76 -40.49 92.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.86 -42.56 90.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.08 -134.08 12.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.1 124.98 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.79 169.08 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.36 110.97 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -110.9 167.37 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.637 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 44.8 m95 -128.01 153.86 46.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 4.0 m-85 -150.18 171.83 16.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 -85.33 144.66 41.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.26 33.05 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.5 -36.34 62.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.2 m -74.58 -32.98 62.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CD2' HD22 ' A' ' 44' ' ' LEU . 41.5 t80 -58.0 -38.39 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 104' ' ' LEU . 43.3 t -75.91 -55.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.78 -42.64 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.1 m-20 -101.19 34.93 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 28.8 ptt-85 -70.95 -54.22 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.4 mt-10 -58.98 -63.22 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 75' ' ' LEU . 3.0 pt-20 -39.65 -45.27 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 71' ' ' ASN . 27.6 mt -72.95 -35.84 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.44 40.84 1.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 43.9 t80 -91.22 92.75 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 44.4 mtt85 -50.43 152.48 3.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.77 35.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 6.8 pt-20 -64.94 -22.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 5.9 m-85 -84.54 133.38 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 p -129.22 166.68 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -54.47 -39.19 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.1 t -58.73 -38.08 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 14' ' ' THR . 14.1 mt-30 -66.15 -34.89 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.8 mt -51.09 130.48 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.558 ' HA ' HG21 ' A' ' 14' ' ' THR . 31.6 tttp -67.34 121.46 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.77 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 26.4 t80 -83.05 -51.29 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -53.71 -36.01 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.1 149.72 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.6 139.91 55.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.6 m -44.14 -42.29 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.2 -58.56 2.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 2.9 p30 -66.59 -47.05 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.532 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 17.7 mttm -37.85 -68.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . 32.5 mt-10 -46.44 -38.77 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -63.65 -44.68 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLN . 52.5 mt -70.21 -55.7 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 98' ' ' GLU . 7.7 mtmp? -38.2 -47.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.38 -38.4 74.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 7.6 mm-40 -61.83 -51.27 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 69' ' ' VAL . 10.9 mt -112.08 76.88 1.91 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.98 36.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 87' ' ' LYS . 47.0 m -150.11 138.32 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 81' ' ' TYR . 40.8 mt -74.78 97.84 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.18 -48.28 47.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -49.15 -34.17 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 93.7 m-85 -106.67 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.9 148.59 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -134.36 127.08 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -168.9 177.21 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.15 135.63 36.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -62.25 151.23 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -92.53 -49.79 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -133.54 156.17 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -81.53 45.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -100.58 -54.45 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 37' ' ' ILE . 66.5 m -50.82 132.31 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 35' ' ' GLU . 67.1 m -122.89 143.33 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 46.3 t -76.46 151.79 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.53 -26.63 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.07 -51.29 40.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -98.86 -15.55 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp 61.28 47.3 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 4.7 pt-20 -132.49 138.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 144.57 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 28' ' ' SER . 35.7 mt -92.83 125.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.25 141.13 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -66.37 140.38 58.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.43 -41.11 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.71 136.92 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.68 137.6 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 31.6 ptt180 -137.72 171.58 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -144.64 128.34 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.2 p -106.98 126.09 51.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 ttpp -114.78 118.19 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -65.71 104.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ptm -164.18 159.88 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' C ' ' A' ' 57' ' ' GLY . 2.8 m -89.36 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.61 126.31 47.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.3 34.5 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.783 2.322 . . . . 0.0 112.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -103.46 -42.22 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -122.34 84.5 46.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.79 7.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.377 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -61.52 -53.14 60.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.8 -36.57 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.586 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 82.57 -133.36 11.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -64.16 120.29 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' CZ ' ' A' ' 61' ' ' ARG . 6.4 pt -145.3 150.64 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.16 110.37 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' CZ ' HD12 ' A' ' 59' ' ' ILE . 18.2 mmt-85 -101.78 173.62 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 99.1 m95 -138.83 150.71 46.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.87 125.57 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 43.2 m80 -55.76 151.18 23.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.91 -41.39 32.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.68 -35.61 74.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -74.99 -31.27 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.06 -43.94 97.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' A' ' 103' ' ' GLN . 60.4 t -64.01 -45.59 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -64.03 -59.42 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.89 31.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.8 ptm180 -67.29 -41.15 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 17.0 mm-40 -65.37 -67.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.68 -49.3 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.24 -33.98 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.61 42.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 5.4 t80 -88.43 99.43 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -49.41 156.19 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -26.35 27.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.77 28.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 15' ' ' LEU . 4.3 m-30 -109.4 136.98 47.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -132.63 172.06 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.9 p -60.3 -13.69 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -90.32 15.17 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 20' ' ' ALA . 62.0 mt -98.75 137.5 37.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HA ' HG21 ' A' ' 14' ' ' THR . 13.1 mtpp -64.0 113.5 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.97 31.61 9.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 t80 -79.64 -38.37 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 t -65.45 -33.49 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.07 -45.64 91.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.2 mt -44.47 166.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.68 137.54 35.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ALA . 55.2 m -36.72 -47.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.15 -55.05 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -49.41 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.87 -51.78 54.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.95 -48.11 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -48.54 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -50.08 -50.85 46.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -55.38 -49.97 70.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' VAL . 33.7 mm-40 -59.58 -46.65 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.75 76.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.392 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -102.7 155.46 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.82 119.49 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 -47.26 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -52.82 -42.07 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 98.3 m-85 -103.42 130.6 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.0 140.72 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -126.24 126.92 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HA ' HD21 ' A' ' 92' ' ' LEU . 13.5 pt-20 -168.67 169.35 10.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -65.35 154.27 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.5 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -87.75 -49.25 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -138.79 151.76 47.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -82.53 40.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -92.2 -58.56 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 t -50.9 158.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 m -140.24 132.04 27.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.5 t -64.82 152.64 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -101.02 -26.47 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.65 88.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.63 -4.65 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.3 mtm 52.91 43.98 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -127.31 142.0 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 151.59 8.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 64' ' ' HIS . 66.9 mt -99.45 123.76 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.04 128.19 35.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -59.79 141.22 55.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.81 -33.08 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -66.83 140.89 57.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.01 145.24 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -152.44 164.97 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.5 mp -130.82 157.63 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.2 p -125.87 146.46 49.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD3' HD22 ' A' ' 75' ' ' LEU . 16.2 tttt -137.92 114.83 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 12.0 ttmt -79.03 123.64 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.8 ptm -164.17 156.98 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.6 t -84.73 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.09 122.75 88.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -26.54 27.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -81.97 -41.8 20.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -118.66 82.21 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.21 35.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.29 -43.72 90.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -58.66 -54.23 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -131.94 10.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.479 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -68.76 121.68 17.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 pt -134.75 166.61 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.95 122.15 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -108.91 168.4 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.61 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 86.5 m95 -133.24 152.48 51.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 31.4 m-85 -157.33 129.99 7.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 32.4 m80 -52.1 148.36 11.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.603 0.716 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.99 -32.2 17.59 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.94 56.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 m -79.95 -33.65 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' HD22 ' A' ' 44' ' ' LEU . 30.8 t80 -58.68 -33.43 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.39 -51.3 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -56.05 -45.35 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -98.15 25.32 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -60.98 -46.15 91.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -74.7 -48.04 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.54 -45.45 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HD3' ' A' ' 46' ' ' LYS . 59.2 mt -67.93 -35.98 79.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.446 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 12.2 t80 -89.31 102.68 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 39.6 mmt180 -61.84 153.01 74.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -11.34 30.68 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.662 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 5.0 pt-20 -78.51 -15.97 58.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CE1' ' CG ' ' A' ' 80' ' ' GLU . 2.0 m-85 -92.92 130.56 38.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.4 p -125.52 173.84 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.54 -36.17 83.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.548 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.3 m -53.44 -36.63 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -74.62 -34.95 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 20' ' ' ALA . 95.4 mt -52.05 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -45.46 115.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 119.93 -35.08 3.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.4 t80 -41.23 -60.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.0 t -51.41 -27.17 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HA2' ' A' ' 88' ' ' GLY . 54.0 mt -82.37 -39.47 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 21' ' ' GLU . 71.7 mt -49.39 148.3 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.7 132.93 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 8.6 m -33.67 -66.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' THR . 12.4 pt-20 -37.62 -46.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.5 m-20 -71.64 -51.07 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -38.88 -57.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.03 -49.32 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -44.39 -46.4 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.66 -47.9 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -44.32 -49.61 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -55.68 -53.28 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.13 -50.3 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.61 81.87 3.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.18 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.1 m -148.17 144.75 27.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -74.39 114.39 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.73 -36.51 47.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.19 -42.08 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 29.4 m-85 -101.91 126.57 48.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.58 139.49 46.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.28 123.34 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -164.29 168.53 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -66.2 125.87 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -49.68 110.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.8 -50.62 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -132.07 150.24 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -84.06 39.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -96.86 -55.9 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -42.86 132.28 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.8 m -119.86 127.06 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.1 t -60.99 155.49 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -102.38 -26.1 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -50.6 43.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 p -100.58 -20.68 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.6 mtm 65.33 50.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.47 138.04 47.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 140.74 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.401 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.4 mt -91.09 139.18 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.23 153.25 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -83.03 113.56 20.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.3 -39.98 2.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.44 130.42 46.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.6 t -42.71 138.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.547 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 37.6 ptt180 -139.63 172.1 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.2 mt -146.99 136.5 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 63.2 p -116.85 140.79 49.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -117.85 144.08 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 21.4 tttm -119.27 102.34 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -155.12 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.76 129.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -83.16 128.61 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.89 29.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -87.64 -42.04 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -128.07 83.88 64.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.34 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.61 -30.69 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.37 -44.13 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.64 -122.76 6.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.3 113.9 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 ' HD3' ' A' ' 61' ' ' ARG . 29.4 pt -124.36 164.58 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -131.04 111.35 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.662 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -110.58 -178.93 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.547 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 62.2 m95 -138.36 137.0 36.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.3 m-85 -141.76 126.44 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -50.08 154.93 1.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 -38.54 31.56 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.24 -40.46 70.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.2 m -71.79 -40.05 69.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -49.36 -42.97 43.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.09 -48.67 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -55.49 -46.99 76.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -100.52 32.49 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 13.8 ptt180 -67.98 -30.05 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 13.2 pt-20 -87.72 -50.1 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.9 -43.01 69.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.9 mt -67.38 -31.97 72.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.75 42.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -91.72 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -74.19 157.02 87.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.1 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 12.3 pt-20 -72.07 -22.78 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 12.6 m-85 -86.58 138.99 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.9 p -130.7 171.6 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.31 -33.45 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -66.12 -32.24 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.62 ' O ' HG23 ' A' ' 14' ' ' THR . 6.6 mt-30 -72.02 -31.27 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 83' ' ' ALA . 40.4 mt -51.11 129.97 25.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 14' ' ' THR . 17.1 ttpp -63.4 108.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.93 33.23 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 37.7 t80 -81.99 -48.54 11.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -59.39 -33.66 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.73 -36.35 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.506 HD13 HD12 ' A' ' 100' ' ' LEU . 78.6 mt -49.69 172.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLU . . . -91.26 131.76 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ALA . 89.0 m -34.05 -33.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.6 tt0 -76.67 -48.19 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -63.53 -41.78 98.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -45.49 -58.68 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.83 -46.23 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.25 -41.05 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 92' ' ' LEU . 93.4 mt -78.13 -33.04 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -66.36 -40.54 89.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -67.03 -25.56 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.06 -44.39 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.65 88.5 7.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.82 31.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.397 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 tttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.682 HG21 ' HG2' ' A' ' 87' ' ' LYS . 54.6 m -151.27 144.02 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.14 96.04 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -53.49 -56.13 21.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -34.16 -44.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.0 148.34 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.97 140.47 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.91 135.04 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.01 167.02 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -70.61 125.97 28.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.88 136.71 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -82.08 -53.31 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 151.96 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -81.09 49.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' SER . 54.6 mtm180 -103.69 -65.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ARG . 72.7 m -35.98 144.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -132.63 127.75 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -62.2 153.74 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -100.32 -33.45 10.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.48 -55.78 28.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.3 p -97.35 -6.11 34.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.4 mtt 52.62 51.3 16.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.6 146.17 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 159.16 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 64' ' ' HIS . 72.8 mt -108.74 127.32 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -65.44 140.87 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -70.52 113.89 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.84 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.71 -44.26 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.31 129.77 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -43.34 132.71 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 38.2 ptt180 -131.88 175.83 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.35 139.04 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 59.7 p -121.5 152.56 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 75' ' ' LEU . 7.9 ttmm -138.9 110.62 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.25 117.26 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 48' ' ' MET . 4.8 ppp? -163.59 159.45 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.69 138.81 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.88 122.57 78.12 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -19.04 36.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -86.36 -39.33 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -122.63 77.37 47.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.87 -43.1 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.41 -54.86 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.79 -116.56 5.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.2 OUTLIER -79.46 113.71 17.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.5 pt -127.94 158.74 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.07 128.09 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -114.03 173.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 86.2 m95 -138.28 146.56 42.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 95.9 m-85 -154.39 125.71 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 35.4 m80 -52.93 151.5 8.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.812 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.06 -41.65 33.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.45 92.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.4 m -70.81 -38.45 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.95 -44.9 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.72 -54.21 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -47.01 -53.28 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -99.37 33.14 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -60.2 -44.69 94.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.98 -46.24 30.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.04 -47.12 84.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 46' ' ' LYS . 14.0 mt -60.37 -33.92 73.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.91 43.52 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' TYR . 6.2 t80 -100.88 95.28 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -41.06 154.52 0.22 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' GLY . 53.7 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.3 21.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 4.8 m-30 -107.0 137.05 45.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -131.36 171.26 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.75 -32.42 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.1 m -52.62 -42.24 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' THR . 87.2 mt-30 -64.72 -36.7 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.4 mt -52.47 126.98 21.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HG2' HG21 ' A' ' 14' ' ' THR . 10.1 mtpt -57.99 150.44 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 82.51 -38.24 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 84.5 t80 -35.7 -54.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 t -56.65 -40.19 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' GLY . 44.2 mt -66.86 -42.84 85.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 89' ' ' PHE . 65.5 mt -47.97 167.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.33 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -40.89 -53.4 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.93 -55.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.48 -52.39 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 21.7 mttt -41.29 -45.41 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -61.21 -50.45 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.96 -55.55 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.6 mt -53.15 -62.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -39.21 -55.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -49.64 -38.11 30.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.02 -38.92 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.81 94.06 11.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -13.41 34.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' GLN . 72.0 m -148.88 145.3 27.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 81' ' ' TYR . 56.2 mt -53.34 134.88 39.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.48 -43.14 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -88.22 33.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 89.0 m-85 -156.93 135.59 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.92 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -147.29 130.63 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.17 154.08 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -51.6 131.68 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.676 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -59.58 137.68 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -80.25 -48.43 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m -127.59 161.74 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -94.97 40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 28' ' ' SER . 16.5 mmt180 -99.28 -59.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.6 p -36.67 152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.2 m -140.95 132.28 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.5 t -63.45 155.45 29.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.7 mmmt -103.03 -26.16 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.14 -51.85 31.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -99.19 -23.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmm 68.12 53.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -134.35 135.33 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.14 143.56 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.5 mt -97.75 122.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.77 145.22 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -71.66 115.95 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.676 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.06 -49.31 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.37 132.0 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.58 137.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.552 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 31.1 ptt180 -134.35 168.92 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.8 mt -141.12 138.1 33.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 54.5 p -127.81 150.41 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.88 112.34 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 3.6 ttmp? -74.49 117.86 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.15 173.18 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' C ' ' A' ' 57' ' ' GLY . 79.8 t -106.26 133.22 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.01 124.46 87.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.35 30.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.23 -33.95 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -125.53 78.54 68.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.33 37.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 24.9 pt20 -59.84 -40.36 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.3 mt -71.29 -51.95 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 88.8 -125.17 7.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -69.61 124.91 25.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.604 HD12 ' CD ' ' A' ' 61' ' ' ARG . 14.1 pt -142.8 169.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -134.4 109.44 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.604 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -100.06 178.55 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 56.6 m95 -138.3 150.74 46.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 59.2 m-85 -154.7 132.88 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 33.7 m80 -57.88 152.3 38.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.04 -39.98 33.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.01 -34.04 75.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 m -75.35 -39.01 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -52.72 -45.17 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.96 -49.28 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -55.75 -53.18 59.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.93 30.56 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 19.6 ptt180 -63.72 -44.56 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 12.9 pt-20 -70.44 -44.43 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.07 -55.89 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -57.13 -33.8 67.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.19 39.73 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 81' ' ' TYR . 21.8 t80 -91.28 95.02 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -61.64 153.56 70.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.92 4.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.8 -23.35 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.774 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.7 m-85 -83.06 135.58 34.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.3 p -125.52 161.85 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 89' ' ' PHE . . . -59.02 -31.48 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.8 m -57.68 -35.47 70.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' THR . 18.7 mt-30 -75.19 -37.22 61.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 39.9 mt -51.62 112.35 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 14' ' ' THR . 39.4 mttt -46.38 135.62 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 96.87 -35.79 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 87.1 t80 -36.89 -59.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -50.62 -37.84 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' GLY . 66.8 mt -67.9 -42.68 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.527 HD13 ' OD2' ' A' ' 96' ' ' ASP . 77.4 mt -48.15 142.82 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -60.55 134.87 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.2 m -33.34 -57.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.0 tt0 -35.67 -55.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 92' ' ' LEU . 9.7 t0 -69.09 -49.75 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.6 mtpt -34.89 -51.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -65.75 -49.33 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.09 -57.09 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' LYS . 36.0 mt -58.3 -57.18 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' LEU . 58.0 mttt -35.08 -53.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -49.8 -47.55 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' LEU . 8.6 mt-30 -66.39 -49.34 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.8 mt -115.09 74.88 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -9.08 25.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.855 0.36 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -143.76 151.93 40.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.13 122.79 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.01 -50.62 4.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -47.7 -41.05 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -102.56 139.82 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.55 135.62 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -111.44 131.62 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 3.6 mt-10 -154.24 -176.21 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -96.22 135.82 37.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -65.66 80.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' ALA . 45.2 tttp -34.34 -45.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p -135.81 156.1 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -85.06 38.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -91.11 -59.52 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -46.1 146.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 m -133.96 132.97 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -66.0 149.0 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -99.41 -23.37 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -41.98 84.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.6 p -109.94 -18.8 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt 66.81 46.78 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -132.2 140.86 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -49.29 152.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.429 HG12 ' NE2' ' A' ' 64' ' ' HIS . 71.7 mt -105.25 99.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -38.26 154.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -80.13 137.28 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.37 -33.92 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -55.44 135.61 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 92' ' ' LEU . 37.9 t -53.47 139.52 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -135.79 161.2 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.33 132.86 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 24.6 p -108.69 151.92 25.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HD2' HD22 ' A' ' 75' ' ' LEU . 44.1 tttm -138.01 112.02 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -75.28 114.68 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.414 ' N ' ' HE1' ' A' ' 58' ' ' MET . 5.6 ptm -164.55 161.64 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.5 132.05 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.39 126.79 87.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.42 37.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.51 -37.27 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -126.97 80.38 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -0.08 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.41 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -46.78 11.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.92 -53.89 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.68 -137.38 13.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -67.87 118.21 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 pt -123.95 169.48 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 111.01 16.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 8.8 mmp_? -96.0 173.51 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 97.4 m95 -138.74 146.63 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.8 m-85 -157.04 140.26 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -68.35 151.68 97.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.95 -40.23 32.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.1 94.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.94 -44.12 73.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -46.57 -35.05 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.81 -38.29 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -55.2 -49.53 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.35 34.92 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.54 -38.49 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.57 -47.51 12.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.04 -44.45 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 46' ' ' LYS . 35.5 mt -61.16 -35.93 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.67 37.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -88.52 124.92 34.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -87.08 156.02 54.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -98.13 -26.52 14.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -80.14 119.67 23.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -120.73 177.86 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.72 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 46.4 t -56.98 -21.92 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -83.76 -33.66 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -52.45 138.23 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 34.5 mtpt -62.62 155.33 26.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . . . 35.87 39.83 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 12.4 t80 -83.03 -43.11 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 t -64.0 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.05 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 42' ' ' VAL . 91.6 mt -54.1 155.23 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 132.31 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -39.59 -53.11 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.64 -53.0 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -63.54 -43.31 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.04 -40.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.05 86.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.18 -36.12 79.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.97 -46.95 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.7 -44.69 73.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.75 -45.42 89.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.52 81.21 1.76 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.67 37.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 87' ' ' LYS . 2.9 m -107.58 132.33 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 18' ' ' PHE . 50.5 mt -45.68 161.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.18 -48.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -91.95 39.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 86.0 m-85 -155.21 127.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.93 155.86 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -148.71 123.26 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -171.31 166.87 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.71 128.78 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -40.67 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -51.89 -40.56 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -134.99 162.07 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 48.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -122.46 -11.03 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 37' ' ' ILE . 3.1 p -75.25 153.36 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.8 m -135.53 129.24 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 49.6 t -68.02 123.0 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -81.71 -22.55 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.5 97.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.6 27.19 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm 40.64 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' THR . 2.0 mm-40 -104.27 166.93 10.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CD ' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -101.43 133.35 46.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 28' ' ' SER . 24.9 mt -92.43 130.85 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 mp0 -87.1 166.13 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 24.0 tttm -89.11 127.59 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.87 -29.07 9.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -78.87 140.1 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.73 134.44 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 33.6 ptt180 -137.68 170.03 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD23 ' HB2' ' A' ' 20' ' ' ALA . 7.9 mt -140.68 144.61 35.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.7 p -129.63 160.88 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 23.3 tttm -142.53 118.05 10.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -71.83 113.11 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ptm -164.21 163.39 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.57 150.64 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -89.71 123.44 66.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.03 37.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.09 -49.33 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -115.23 82.05 8.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.232 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -52.15 -33.4 40.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -73.49 -51.65 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.54 -124.81 8.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.8 mmm -72.78 125.63 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 ' HD3' ' A' ' 61' ' ' ARG . 6.7 pt -139.46 166.64 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.51 110.8 16.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' HD12 ' A' ' 59' ' ' ILE . 28.3 mmm180 -101.08 170.58 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.6 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 30.7 m95 -135.51 151.34 50.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 3.6 m-85 -153.33 159.9 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -75.94 149.26 82.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.96 -36.24 26.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.64 -33.25 52.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -78.81 -26.47 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 44' ' ' LEU . 26.2 t80 -65.95 -35.51 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -77.21 -52.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -49.31 -38.14 26.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -111.47 34.04 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -68.85 -41.04 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.59 -47.88 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.34 -51.41 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.6 -35.8 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.32 35.42 1.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 6.1 t80 -94.19 104.3 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -60.25 150.88 70.16 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.57 12.27 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -99.14 19.89 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 20.8 m-85 -116.93 152.49 34.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 p -131.79 -179.67 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.861 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -87.06 -20.68 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.2 p -74.73 -4.69 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -107.91 21.13 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 75.4 mt -96.16 134.62 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.673 ' HA ' HG21 ' A' ' 14' ' ' THR . 24.3 mtmt -57.38 111.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.35 28.7 13.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 34.3 t80 -81.12 -44.52 17.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -63.78 -17.02 62.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -79.24 -38.38 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.63 156.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -74.48 130.62 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ALA . 12.3 m -34.0 -48.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.86 -49.19 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' ALA . 13.7 m-20 -74.87 -48.56 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -38.15 -47.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.28 -45.54 90.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.66 -60.34 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.33 -53.42 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -46.06 -46.69 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -65.09 -48.27 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.47 -36.47 73.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 83' ' ' ALA . 8.6 mt -111.56 79.67 2.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -145.99 143.06 29.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 81' ' ' TYR . 30.6 mt -89.09 115.54 26.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.25 -52.09 11.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.458 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 31.2 p-10 -38.55 -41.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 82.2 m-85 -102.79 134.09 46.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.71 130.22 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -126.26 115.71 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.682 ' HA ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -156.64 175.22 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -73.95 115.3 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.87 113.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.96 -43.3 91.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -136.55 159.98 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -83.77 43.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -110.23 42.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.649 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.8 m -134.55 146.46 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.5 m -137.99 130.2 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.55 125.55 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -80.44 -25.97 38.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.98 -50.36 66.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -118.79 27.33 8.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' CYS . 31.0 mtm 37.31 39.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 29' ' ' THR . 5.1 mm-40 -99.56 169.64 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 131.02 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 28' ' ' SER . 22.3 mt -87.57 118.1 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.47 166.98 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -82.59 129.49 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.65 -42.76 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -53.42 124.52 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.447 HG21 ' OD1' ' A' ' 96' ' ' ASP . 53.8 t -43.08 126.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.636 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 33.4 ptt180 -131.57 146.14 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 20' ' ' ALA . 9.9 mt -117.97 122.65 43.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 52.3 p -100.92 137.39 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HG2' HD22 ' A' ' 75' ' ' LEU . 8.3 tptt -121.0 136.65 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -82.48 104.58 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -163.67 149.5 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.62 145.1 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.11 123.72 84.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -12.09 32.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -94.23 -34.1 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -134.42 80.45 51.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -14.0 35.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.38 -22.08 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.83 -46.34 11.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.59 -134.9 11.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.42 130.22 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.3 pp -150.18 141.08 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.9 128.24 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -126.6 177.99 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.636 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 29.8 m95 -139.1 141.91 38.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 1.3 m-85 -137.57 174.07 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -88.42 144.69 34.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.7 Cg_exo -48.02 -38.46 31.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.632 2.222 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.61 -37.36 46.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -75.02 -25.34 58.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 75' ' ' LEU . 41.0 t80 -66.55 -42.15 87.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 103' ' ' GLN . 48.3 t -66.21 -48.07 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -52.83 -43.34 65.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -105.48 32.21 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 18.6 ptt180 -62.71 -50.32 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' ARG . 8.1 pt-20 -63.59 -46.03 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.69 -52.3 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD22 ' HG2' ' A' ' 46' ' ' LYS . 25.5 mt -55.29 -27.71 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.42 42.82 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -105.62 106.39 16.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.99 154.3 92.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -24.23 29.91 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.45 -14.97 62.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 15' ' ' LEU . 23.5 m-85 -93.03 138.82 31.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.0 p -125.35 166.84 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -49.25 -31.05 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 3.1 t -64.01 -35.62 81.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 15' ' ' LEU . 12.7 mm100 -67.95 -29.25 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 HD21 ' A' ' 44' ' ' LEU . 81.4 mt -59.08 118.64 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.83 122.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 107.61 -34.67 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 88.1 t80 -34.88 -65.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -46.21 -35.77 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.8 mt -72.96 -36.87 67.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 21' ' ' GLU . 85.2 mt -55.05 144.85 22.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.7 151.14 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.5 m -49.02 -59.47 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -40.42 -44.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.593 ' OD2' HD13 ' A' ' 92' ' ' LEU . 13.2 t0 -68.6 -50.7 49.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 23.8 mttt -42.61 -53.83 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.76 -44.31 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.38 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.1 mt -74.05 -53.62 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -39.23 -42.39 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -59.5 -53.92 52.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' HB3' HG21 ' A' ' 69' ' ' VAL . 15.1 mm100 -61.94 -49.98 73.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.29 77.36 2.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -23.26 31.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -101.35 152.27 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' TYR . 15.1 mt -102.02 129.99 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.07 -49.43 8.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.473 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 50.4 m-85 -104.82 133.62 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.07 131.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.79 132.71 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.89 160.18 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.13 129.67 41.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -47.03 127.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' SER . 11.5 ptpt -73.35 -31.67 64.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 58.5 m -138.6 163.86 30.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 39' ' ' LYS . 1.4 p30 -100.34 35.08 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' SER . 31.4 mmt180 -112.18 -60.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ARG . 49.6 m -33.76 110.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -95.42 138.88 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.3 t -62.38 154.27 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 24.9 tptt -100.94 -31.93 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.26 -69.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.6 p -84.12 -19.75 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmm 67.9 49.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -129.08 134.57 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -39.53 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.602 HG23 ' OE1' ' A' ' 41' ' ' GLN . 55.4 mt -129.21 123.14 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 154.06 41.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HB2' ' N ' ' A' ' 26' ' ' ASN . 49.9 tttt -87.05 106.14 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 132.11 -31.92 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 37' ' ' ILE . 3.9 pt20 -65.87 145.57 55.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.11 125.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.677 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 39.6 ptt180 -126.78 177.71 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.69 126.24 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 86.9 p -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 38.7 tttm -144.57 112.86 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -77.09 106.96 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.71 159.58 40.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.25 123.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.36 121.73 85.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.306 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.01 -44.63 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -124.44 83.44 57.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -27.69 26.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 55' ' ' GLN . 2.8 mm100 -39.97 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.03 -35.22 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.3 9.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.49 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.0 OUTLIER -64.19 111.19 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.5 173.72 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -131.11 107.74 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.94 171.44 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.677 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 70.4 m95 -133.02 144.02 49.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -147.49 146.1 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 13.1 m80 -69.63 152.65 96.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -29.41 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.29 -35.2 43.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.7 m -75.65 -23.06 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG21 ' OE1' ' A' ' 103' ' ' GLN . 47.7 t -68.1 -56.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -54.49 -44.3 72.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 32.66 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 10.6 ptm180 -70.1 -41.27 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 30.1 mm-40 -79.84 -47.16 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.1 -53.38 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.91 -31.91 42.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.67 2.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 7.5 t80 -89.24 128.35 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.94 153.45 40.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.05 6.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.4 pt-20 -85.16 -15.67 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 15' ' ' LEU . 15.5 m-85 -106.96 136.87 46.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 72.5 m -128.78 167.53 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.75 -31.1 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -66.27 -34.26 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -69.82 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.94 135.24 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -66.12 138.79 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.82 94.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.84 -42.19 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 m -68.37 -22.57 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.52 -27.42 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.14 169.45 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 96' ' ' ASP . . . -79.41 129.16 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.9 m -41.14 -36.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.76 -44.04 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -85.58 -38.39 18.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -44.07 -52.96 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.67 -43.3 97.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.49 -50.9 70.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.68 -41.3 94.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.02 -36.65 73.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -78.49 -48.45 15.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.508 ' OE1' HG21 ' A' ' 69' ' ' VAL . 5.4 mt-30 -57.93 -48.68 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.73 84.77 5.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -136.62 148.4 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -89.2 123.33 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.2 -45.35 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.3 -41.14 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 82.7 m-85 -102.57 141.31 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.13 138.61 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.707 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.32 127.63 44.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.97 178.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -72.99 127.67 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -40.12 -50.02 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -130.37 162.86 28.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -96.49 46.9 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -100.78 -49.96 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -48.03 145.59 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -135.71 127.68 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.1 t -64.04 150.38 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -98.14 -29.42 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.42 40.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 p -98.15 -9.57 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.8 mtt 56.37 48.04 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.85 142.91 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 152.08 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 64' ' ' HIS . 40.1 mt -103.14 112.97 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.75 151.48 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -77.9 132.05 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.3 -40.63 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -53.72 133.54 41.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.55 141.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.571 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 32.5 ptt180 -139.09 173.36 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD23 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mt -147.94 125.82 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.6 p -108.89 155.38 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 47.5 tttm -144.56 126.13 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -83.5 117.34 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.6 ptm -164.19 171.42 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.8 t -100.22 134.04 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -74.95 127.86 86.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.14 37.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.02 -47.1 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -123.57 82.89 53.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.58 16.5 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -65.77 -45.02 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.02 -47.94 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.81 -120.9 6.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -76.24 103.78 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -117.32 160.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -113.73 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -107.54 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.571 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 67.0 m95 -134.77 154.34 51.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 81.5 m-85 -157.95 126.15 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 34.9 m80 -53.98 153.14 9.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.97 -39.73 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.87 -35.22 65.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 31.1 m -76.89 -29.72 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -66.67 -39.28 88.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.492 HG13 HH21 ' A' ' 72' ' ' ARG . 98.2 t -70.35 -52.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -58.22 -47.57 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 67' ' ' CYS . 8.6 m-80 -92.88 22.32 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.492 HH21 HG13 ' A' ' 69' ' ' VAL . 5.7 ptp85 -63.13 -19.28 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -82.45 -67.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -41.59 -53.52 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 77.5 mt -56.77 -36.04 69.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.34 43.92 3.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.559 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' TYR . 49.2 t80 -80.14 94.88 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -53.04 148.18 14.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.61 8.73 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.1 -23.3 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' ' CZ ' ' A' ' 77' ' ' PHE . 20.1 m-85 -87.68 118.09 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -114.8 173.89 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.8 -37.18 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 27.5 p -55.32 -39.31 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -76.18 -35.62 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 83' ' ' ALA . 49.8 mt -50.69 112.52 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.71 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 81.54 -36.0 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.88 ' HA ' HD12 ' A' ' 92' ' ' LEU . 72.5 t80 -34.39 -54.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -42.89 97.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' GLY . 56.9 mt -61.19 -43.66 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 89' ' ' PHE . 19.0 mt -48.56 177.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.81 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -38.61 -50.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.8 -55.87 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.3 m-20 -61.94 -46.98 86.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -41.43 -62.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.02 -40.86 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.56 -54.93 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.49 -48.75 74.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -39.55 -48.39 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.04 -46.94 86.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.28 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.01 86.87 46.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.21 31.23 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.713 2.275 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m -137.75 146.55 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.6 mt -76.47 119.62 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.03 -39.0 13.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 56.9 m-85 -101.62 138.15 39.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.76 134.12 15.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.7 121.07 39.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.904 ' HA ' HD21 ' A' ' 92' ' ' LEU . 15.0 pt-20 -158.89 167.87 28.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.18 133.28 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -44.45 141.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -88.95 -46.58 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.9 p -133.83 160.43 37.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -93.29 39.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -104.78 -54.51 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -43.22 153.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.476 HG23 ' C ' ' A' ' 35' ' ' GLU . 24.2 m -144.76 125.1 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 t -61.05 155.86 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -102.47 -29.44 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -45.42 95.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -105.73 -19.11 13.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.5 mtm 63.85 53.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -136.63 137.19 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 138.28 26.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.2 mt -86.16 117.0 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.22 135.01 57.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -65.76 120.01 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.725 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.18 -41.84 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -56.4 134.92 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -47.16 147.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.559 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 21.1 ptt180 -156.0 162.83 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 HD13 ' A' ' 86' ' ' LEU . 3.8 mp -132.47 153.43 50.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 28.5 p -131.28 144.78 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -131.43 121.53 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -74.22 116.31 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.7 ptm -161.28 161.06 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 57' ' ' GLY . 93.4 t -97.99 139.26 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 40.7 t0 -81.76 124.45 79.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -26.99 26.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.9 -47.14 31.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -118.24 81.99 17.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -16.84 37.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -52.41 -45.34 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.19 -50.77 24.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . 86.58 -119.79 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.43 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -66.8 116.19 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 pt -132.55 171.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -119.03 117.12 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NH2' ' OD2' ' A' ' 50' ' ' ASP . 12.2 mmt180 -100.21 167.06 10.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 97.8 m95 -136.54 136.43 39.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -144.78 123.65 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 49.5 m80 -48.58 148.92 3.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.99 -38.66 31.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.23 -34.85 60.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 m -75.97 -38.11 57.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.04 -41.69 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.56 -48.77 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -58.42 -49.24 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.93 32.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -74.2 -46.09 44.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.6 pt-20 -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 41.4 tt0 -62.16 -50.11 73.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.79 -33.1 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.09 42.49 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 t80 -84.93 100.9 11.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 14.5 mmm180 -52.07 154.16 4.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLY . 54.3 Cg_endo -69.73 -25.42 28.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -83.09 29.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 8.8 m-85 -118.29 133.55 55.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -131.83 168.41 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.97 -47.57 74.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 15.2 t -45.14 -38.35 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -72.6 -37.03 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 83' ' ' ALA . 78.6 mt -53.01 100.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -38.63 122.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 112.21 -38.71 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.3 t80 -35.22 -55.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -53.81 -41.76 67.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLY . 81.0 mt -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 21' ' ' GLU . 69.2 mt -52.07 171.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.42 149.07 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 m -54.55 -51.32 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.03 -61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -55.32 -46.86 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 3.2 mtpm? -51.03 -60.25 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -42.56 -42.33 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -54.62 -49.21 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 103' ' ' GLN . 38.3 mt -59.55 -55.64 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.3 mtmt -36.68 -48.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.31 -39.02 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' LEU . 63.1 mt-30 -66.96 -50.3 62.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.6 mt -115.98 75.6 5.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.57 21.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -113.74 144.12 43.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 ' CD1' ' A' ' 81' ' ' TYR . 42.0 mt -72.28 110.64 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.52 -41.76 24.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.2 p-10 -65.59 -40.14 92.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 98.0 m-85 -102.37 140.12 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.66 150.51 29.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.5 127.65 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.15 171.89 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -74.33 144.35 44.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -62.93 133.58 54.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -79.11 -48.54 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.6 m -133.01 159.18 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -88.4 38.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -100.04 -50.97 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.7 t -46.74 153.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -143.51 126.61 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.6 t -61.64 155.54 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.37 -27.25 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.91 93.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' CD ' ' A' ' 35' ' ' GLU . 7.8 p -107.72 -17.04 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 23.2 mtm 62.57 54.38 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CD ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt-20 -136.0 139.07 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 146.43 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 81.7 mt -100.22 103.23 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -49.9 145.77 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.24 127.27 32.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 102.67 -40.03 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.12 125.74 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.9 t -41.18 148.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 34.8 ptt180 -153.94 161.95 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -130.91 153.15 49.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.3 p -124.55 145.47 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' HD2' HD22 ' A' ' 75' ' ' LEU . 25.0 tttm -132.26 115.24 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 32.6 tttm -78.89 113.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -160.6 167.87 26.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.02 138.63 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.65 129.57 54.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.35 -48.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -115.53 81.61 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -32.29 18.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.5 -47.61 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.09 -45.44 94.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -126.34 7.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmm -65.26 130.06 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -139.88 168.04 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.66 121.26 42.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -106.27 170.21 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.459 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 98.1 m95 -136.0 139.04 42.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -149.91 122.04 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 36.8 m80 -48.4 149.56 2.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -34.26 22.2 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.29 -33.83 52.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.08 -31.87 56.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD2' HD22 ' A' ' 44' ' ' LEU . 36.2 t80 -61.27 -37.27 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 103' ' ' GLN . 59.0 t -73.68 -41.72 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -66.2 -44.54 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -99.74 33.24 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 36.0 ptt85 -71.04 -41.47 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.0 pt-20 -76.33 -46.03 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.9 -49.34 77.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.502 HD22 ' HD2' ' A' ' 46' ' ' LYS . 30.6 mt -62.47 -36.01 81.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.86 41.27 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 72.1 t80 -90.49 92.77 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 1.7 mmp_? -41.68 146.73 0.56 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.68 36.34 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.55 -25.28 59.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 18.4 m-85 -80.97 131.99 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -128.59 164.98 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.689 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -48.25 -50.96 27.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 11.3 m -46.44 -36.51 6.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -77.18 -37.83 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 83' ' ' ALA . 39.5 mt -50.7 106.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -41.56 120.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.62 -36.35 3.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.578 ' HA ' HD12 ' A' ' 92' ' ' LEU . 76.9 t80 -39.54 -49.87 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -61.66 -38.04 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . 87.5 mt -64.71 -45.4 86.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 89' ' ' PHE . 25.5 mt -47.94 157.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.23 149.67 48.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 m -46.93 -42.26 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -61.3 -56.45 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 21.1 m-20 -56.5 -45.13 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.11 -48.97 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -42.4 -57.78 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.24 -55.38 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -39.94 -52.19 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -49.51 -46.99 49.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' HB3' HG21 ' A' ' 69' ' ' VAL . 86.7 mt-30 -69.16 -48.97 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.32 75.28 4.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -26.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 87' ' ' LYS . 97.5 m -164.03 138.4 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 37.8 mt -81.82 116.79 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.47 -42.3 10.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.9 p-10 -54.4 -42.1 70.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 94.2 m-85 -102.68 134.55 45.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.26 132.03 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.01 130.38 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.781 ' HA ' HD21 ' A' ' 92' ' ' LEU . 9.7 pt-20 -174.87 172.57 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.45 151.15 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -72.98 158.41 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.15 -48.18 4.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.1 m -139.0 149.3 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 26' ' ' ASN . 21.3 t30 -78.36 55.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -116.86 -39.67 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -52.44 154.33 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 35' ' ' GLU . 91.8 m -138.37 127.6 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.9 t -68.0 120.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -73.6 -34.01 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.99 -55.18 25.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -115.13 28.24 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' CYS . 3.4 mmt 36.63 39.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 29' ' ' THR . 4.6 mm-40 -98.87 168.45 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.57 130.6 47.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.92 117.16 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 36' ' ' LYS . 7.6 mm-40 -72.92 168.37 19.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -84.69 117.54 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.683 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.58 -48.9 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 38' ' ' GLU . 3.0 pt20 -52.43 137.55 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.42 141.56 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 14.2 ptt180 -155.96 143.7 19.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.3 mp -109.24 156.9 19.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -127.23 155.53 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -141.78 113.53 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -65.3 116.62 6.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 ptm -161.14 162.8 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.27 133.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.87 121.32 77.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.04 36.65 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.16 -36.78 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -123.89 82.36 55.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.33 37.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.72 -44.61 93.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.09 -47.83 82.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.53 -133.2 11.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.85 122.72 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 pt -134.15 172.71 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.45 124.41 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -105.67 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 97.2 m95 -136.79 147.06 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 10.5 m-85 -148.39 165.39 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -83.48 145.62 48.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.98 -37.01 28.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.8 -33.37 57.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.04 -28.07 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CD2' HD22 ' A' ' 44' ' ' LEU . 32.0 t80 -64.73 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.42 -53.48 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -54.73 -46.67 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -98.91 32.01 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -69.72 -50.86 39.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.86 -48.81 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.75 -56.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.92 -33.28 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.53 1.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 41.4 t80 -92.76 97.69 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 66.8 mtt180 -57.59 151.94 37.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -6.14 17.84 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 4.3 pt-20 -80.09 -21.82 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 11.4 m-85 -90.15 144.55 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.8 p -132.79 177.93 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.79 -40.84 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 84.8 p -51.38 -38.96 56.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -71.83 -37.32 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 83' ' ' ALA . 91.9 mt -50.62 110.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 7.8 mtpm? -47.28 133.28 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.598 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 96.64 -22.56 39.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 23.6 t80 -49.85 -59.31 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.8 m -53.42 -21.49 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.1 mt -82.94 -32.26 27.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 21' ' ' GLU . 78.7 mt -54.18 150.43 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.0 131.78 49.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 77.9 m -32.19 -58.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.88 -55.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' LYS . 22.0 t70 -63.95 -49.64 71.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.3 mtpt -35.21 -63.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -46.01 -62.37 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -37.42 -53.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.04 -39.49 92.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' GLU . 21.9 mtpp -60.64 -42.83 97.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 6.9 ptmt -73.5 -26.04 60.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 34.8 mt-30 -76.93 -49.47 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.95 75.86 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 tptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.356 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -152.35 167.94 27.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.0 121.8 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.64 20.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.1 -40.64 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -104.58 141.2 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.02 139.78 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.06 130.65 52.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -169.98 162.37 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -67.56 123.35 20.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -38.66 135.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -77.81 -49.13 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.1 t -137.39 154.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.3 47.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 4.8 mmm180 -109.31 -52.95 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -38.57 157.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 35' ' ' GLU . 96.5 m -142.0 127.72 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.3 t -64.35 127.04 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -83.27 -27.55 29.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.0 96.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.2 p -126.06 29.95 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' CYS . 7.4 mtp 35.87 39.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 29' ' ' THR . 7.0 mm-40 -99.44 166.35 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.75 132.0 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 126.72 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.22 157.49 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.55 124.67 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.61 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.79 -34.67 5.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.442 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.42 130.89 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.78 125.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 28.2 ptt180 -129.36 149.53 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 68' ' ' PHE . 8.7 mt -125.74 124.55 41.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.52 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 64.2 p -108.39 139.7 42.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -121.59 120.82 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -69.88 109.34 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -165.81 158.26 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 57' ' ' GLY . 1.9 m -89.49 148.77 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.44 124.9 57.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -18.31 37.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -96.75 -52.06 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -114.2 80.44 5.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.43 14.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.25 -20.58 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -83.66 -43.9 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 92.22 -136.0 13.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.12 121.93 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 pt -142.15 151.08 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 134.1 40.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 13.8 mmt85 -129.55 166.71 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.536 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 99.9 m95 -133.77 152.13 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 55.1 m-85 -156.79 154.61 30.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -71.39 149.15 93.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 44' ' ' LEU . 64.8 Cg_exo -47.98 -38.83 32.13 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.75 2.3 . . . . 0.0 112.313 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.05 -36.46 46.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 m -74.28 -22.95 59.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CD2' HD13 ' A' ' 44' ' ' LEU . 34.2 t80 -70.17 -38.47 75.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.65 -47.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -56.58 -42.83 79.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -98.76 30.91 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.6 ptt85 -69.97 -46.19 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.92 -31.96 73.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.33 -44.87 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.55 -29.41 67.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.85 38.29 3.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 23.7 t80 -84.71 106.62 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.7 156.46 84.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -7.58 21.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 19.0 pt-20 -79.23 -13.0 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 10.1 m-85 -96.25 140.26 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -124.88 175.16 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.67 -22.25 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.9 t -79.41 -8.74 59.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -99.95 8.76 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -90.12 119.75 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -49.98 125.44 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -7.49 76.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 81.5 t80 -59.61 -55.19 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 m -52.22 -28.93 20.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.8 -42.77 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 mt -47.24 150.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.57 139.56 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.1 m -43.84 -38.43 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.46 -58.79 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 26.1 m-20 -53.03 -40.94 64.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 30.7 mttt -48.15 -59.08 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -45.96 -46.12 16.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -49.19 -45.58 44.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 103' ' ' GLN . 50.2 mt -70.87 -55.33 8.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -39.33 -37.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.48 -44.17 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 100' ' ' LEU . 68.1 mt-30 -64.2 -49.79 70.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.55 78.92 6.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.385 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.816 HG21 ' HA ' ' A' ' 87' ' ' LYS . 54.8 m -150.68 133.54 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.19 139.38 57.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.33 -38.79 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.86 -49.46 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HG2' ' A' ' 46' ' ' LYS . 9.5 m-85 -102.95 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.61 155.57 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.74 161.39 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -65.87 129.45 39.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.62 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -54.68 137.25 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -85.96 -41.03 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -137.13 148.43 46.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.6 38.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 mmp_? -93.34 -52.41 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.4 t -46.48 150.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 m -142.07 127.6 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -61.37 155.71 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -101.98 -29.27 11.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.65 -50.6 60.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.9 -16.26 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.2 mtm 62.36 42.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.26 137.42 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 149.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 28' ' ' SER . 93.9 mt -101.09 106.1 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -48.82 149.63 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -79.37 125.24 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.62 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.08 -38.09 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -55.82 136.45 51.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -52.82 132.05 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.56 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 22.3 ptt180 -131.44 170.1 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 86' ' ' LEU . 6.0 mt -144.97 129.92 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 79.3 p -105.32 155.24 19.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 6.0 tmtm? -138.05 140.51 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 31.5 ttpt -108.36 108.62 19.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -152.0 159.82 43.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -88.67 138.68 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.85 128.59 55.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.82 35.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -81.69 -51.89 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -114.9 75.23 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.526 0.679 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.7 36.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.95 -21.53 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.96 -46.13 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.93 -115.71 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -77.68 126.63 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 pt -134.59 157.85 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.38 132.33 53.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.22 175.49 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 93.4 m95 -139.01 146.46 40.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -155.13 127.27 7.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 46.0 m80 -55.87 153.95 15.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -35.62 25.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.63 -32.36 54.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 m -79.12 -32.81 44.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -58.66 -42.23 87.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.6 -34.02 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -60.95 -59.91 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -96.77 31.86 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -55.42 -43.67 75.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.65 -54.71 6.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -50.22 -47.76 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.61 42.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 11.8 t80 -102.16 91.45 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 2.9 mmp_? -50.51 155.6 1.79 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -4.61 14.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 4.56 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 78' ' ' ARG . 2.4 m-85 -92.99 148.3 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.3 m -133.23 167.2 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -71.42 -38.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 60.7 p -59.65 -11.91 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -98.06 19.01 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 44' ' ' LEU . 32.8 mt -102.0 117.89 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.816 ' HA ' HG21 ' A' ' 14' ' ' THR . 15.1 ttmm -43.28 107.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.51 -38.76 2.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 17.8 t80 -35.8 -54.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.9 t -55.18 -41.96 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.7 mt -60.37 -42.99 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.94 171.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -88.18 139.24 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 30.9 m -34.94 -56.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -43.19 -54.03 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.43 -49.57 70.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -39.24 -57.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.57 -52.65 59.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.14 -36.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.1 mt -81.04 -42.64 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -58.08 -42.78 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -62.14 -23.44 66.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -89.05 -45.41 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 83' ' ' ALA . 10.3 mt -113.24 75.8 2.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 4.91 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -158.58 146.96 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.88 121.23 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.92 -35.4 35.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.91 -40.22 79.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 83.3 m-85 -101.55 119.79 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.59 149.06 52.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.86 119.89 26.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -162.09 164.57 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -75.74 127.68 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.789 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -56.97 130.17 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 25' ' ' SER . 10.5 ptpp? -75.65 -43.21 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.3 p -135.58 163.3 30.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.89 40.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -102.04 39.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -138.34 144.95 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 35' ' ' GLU . 97.8 m -138.71 128.25 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.12 121.31 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 25.3 mmtt -79.19 -22.09 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.61 -49.74 62.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -118.96 25.06 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtt 40.97 40.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 29' ' ' THR . 2.4 mm-40 -101.76 168.62 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 128.73 50.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -86.31 124.66 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.54 160.39 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -75.72 137.35 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.1 5.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -65.45 128.02 34.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -44.44 140.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 30.4 ptt180 -145.54 147.32 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.716 HD21 HD13 ' A' ' 86' ' ' LEU . 9.3 mt -119.08 115.89 25.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.5 p -96.45 158.43 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 11.0 ttpt -144.14 112.12 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' HE2' ' A' ' 58' ' ' MET . 16.8 ttmt -64.95 114.22 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptm -154.95 169.62 23.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.4 t -96.13 135.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.41 126.81 77.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -24.62 29.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.12 -45.31 41.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -123.91 87.97 52.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.92 21.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 15.8 pt20 -47.53 -46.42 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 34.6 mt -61.47 -50.77 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.34 -125.6 7.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 46.6 mmm -66.91 132.25 47.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.63 177.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -124.89 126.43 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -120.78 174.98 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 67.3 m95 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 44.9 m-85 -154.41 165.66 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 52.1 m-70 -82.21 143.56 48.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 64.7 Cg_exo -48.02 -37.37 29.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.74 -34.89 52.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 m -78.63 -26.96 45.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CD2' HD13 ' A' ' 44' ' ' LEU . 91.5 t80 -69.76 -33.56 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 103' ' ' GLN . 52.0 t -80.61 -44.19 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.48 -44.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.19 32.79 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -70.5 -32.82 70.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.11 -46.1 71.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.58 -31.4 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.56 43.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 2.5 t80 -96.1 100.08 11.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -63.57 158.3 60.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.93 2.51 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.628 2.219 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 1.7 tt0 -93.96 -26.45 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 2.7 m-85 -82.97 121.17 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 p -122.59 176.3 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -58.67 -30.75 67.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -76.19 -20.59 57.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.39 -35.86 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 44' ' ' LEU . 93.7 mt -51.04 137.28 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -64.87 161.76 17.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.19 32.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 11.5 t80 -86.32 -46.1 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 -32.2 72.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.0 mt -46.55 154.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -66.14 139.33 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' ALA . 97.9 m -37.59 -55.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.5 -42.29 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -69.31 -31.98 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -64.15 -41.15 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.0 -48.1 77.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.08 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.81 -40.47 12.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.88 -41.91 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -51.96 -41.85 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.717 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.9 mm-40 -80.24 -32.31 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 83' ' ' ALA . 6.5 mt -114.32 94.02 33.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.39 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' GLN . 26.6 m -139.3 142.28 37.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' TYR . 40.1 mt -75.92 91.18 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.54 -43.71 28.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 18' ' ' PHE . 3.2 p30 -54.78 -39.58 68.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.445 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 35.3 m-85 -101.63 124.39 47.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.1 135.38 45.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.546 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -124.0 136.17 54.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.98 174.97 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -78.57 123.49 27.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.11 121.97 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -72.98 -44.51 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -137.7 149.53 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -82.28 41.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -96.31 -57.59 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -45.17 140.67 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' C ' ' A' ' 35' ' ' GLU . 19.1 m -127.75 131.26 49.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.7 t -66.06 153.11 43.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -26.71 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.4 91.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.9 p -107.01 -15.3 14.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 73.8 mtm 59.96 52.51 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -138.38 137.02 36.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 145.17 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 94.8 mt -93.05 134.23 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.7 139.68 45.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -71.76 132.19 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.3 -38.26 3.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.43 144.87 50.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.11 140.53 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 29.3 ptt180 -138.52 167.69 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 20' ' ' ALA . 5.8 mt -145.76 113.37 6.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 38.3 p -98.0 151.27 20.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HD3' HD22 ' A' ' 75' ' ' LEU . 34.8 tttp -125.97 135.86 52.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -102.74 111.01 23.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 4.7 ptm -155.22 169.15 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' GLY . 78.6 t -99.58 149.63 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -96.91 123.56 53.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.22 37.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.54 -45.19 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -124.67 82.56 59.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.88 29.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 9.0 pt20 -61.95 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 38.9 mt -62.71 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' VAL . . . 94.9 -110.17 3.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -97.03 118.7 34.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 0.0 110.858 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' CD ' ' A' ' 61' ' ' ARG . 17.0 pt -111.91 170.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 112.6 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.541 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -103.01 -179.18 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 62.7 m95 -138.8 148.07 43.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 17.6 m-85 -151.69 132.44 14.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 18.3 m80 -59.04 152.05 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . 65.1 Cg_exo -48.01 -40.26 33.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -37.64 93.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 m -73.13 -40.31 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -56.35 -42.62 78.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' PRO . 98.9 t -64.94 -36.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.82 -47.1 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -99.5 32.66 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -71.67 -45.26 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -68.38 -46.39 70.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.67 -45.92 90.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 ' HD3' ' A' ' 46' ' ' LYS . 15.6 mt -59.66 -35.96 75.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.28 46.98 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.37 92.96 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 81.8 mmt-85 -50.86 154.16 2.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.05 3.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -101.82 -26.39 13.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 13.3 m-85 -77.96 122.79 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -129.01 171.99 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -46.91 -39.13 11.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -60.03 -33.04 71.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 mm-40 -71.48 -32.95 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 83' ' ' ALA . 75.4 mt -54.6 138.4 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 2.2 tmmm? -73.87 113.68 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.97 33.3 5.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 79.8 t80 -84.47 -51.16 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -53.56 -31.58 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.8 -38.17 79.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 100' ' ' LEU . 89.7 mt -45.21 149.47 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -62.64 127.08 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' ALA . 27.0 m -33.42 -51.9 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.3 -48.29 74.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.2 m-20 -64.89 -50.09 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.4 mtpt -37.37 -65.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -47.3 -46.96 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -47.74 -52.17 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 92' ' ' LEU . 35.4 mt -62.17 -60.78 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 100' ' ' LEU . 33.3 mtpt -34.1 -49.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -50.31 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.46 -49.46 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.19 77.84 1.26 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.42 37.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -138.28 129.61 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -45.78 118.99 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 169.37 42.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -80.9 121.21 25.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -60.45 137.62 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.41 87.25 1.17 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.18 79.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -103.54 154.54 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -117.78 94.62 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.9 145.49 28.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.56 -38.77 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -126.81 39.97 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -122.92 147.52 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 81' ' ' TYR . 62.1 mt -85.29 124.1 31.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -76.06 -60.95 2.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.508 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -38.26 -39.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 73.7 m-85 -101.49 120.63 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 142.87 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.76 138.25 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -168.96 166.04 11.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -65.62 137.72 57.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 92.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -44.61 -48.48 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.9 p -136.44 162.65 32.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -95.3 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -92.7 -53.56 4.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -59.42 158.28 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -140.53 131.47 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.7 t -62.93 152.38 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -105.34 -20.65 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.3 -30.99 64.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.6 p -122.07 -9.39 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.8 mtp 57.85 45.67 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -131.82 137.7 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 153.89 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.7 mt -103.72 102.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.57 137.47 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -59.31 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.8 -45.11 2.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -55.96 126.93 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.33 145.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -149.92 158.22 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 86' ' ' LEU . 2.5 mp -129.54 162.27 28.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 83.2 p -135.35 154.63 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 75' ' ' LEU . 29.3 tttt -137.43 119.38 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 1.1 ttmp? -67.46 116.6 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 ptm -162.48 165.59 25.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 ' C ' ' A' ' 57' ' ' GLY . 49.3 t -99.48 131.29 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.84 126.74 89.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.14 26.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -84.01 -22.89 31.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -133.48 75.97 68.4 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.534 0.683 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.81 37.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 13.8 pt20 -63.61 -41.28 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 14.0 mt -65.08 -48.02 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.583 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 85.23 -131.57 10.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.44 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -64.26 103.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 pt -119.97 175.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -128.31 113.81 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -95.52 173.9 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.412 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 61.0 m95 -136.53 141.26 43.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 12.8 m-85 -147.7 133.91 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 30.0 m80 -53.32 147.68 18.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.97 -35.45 25.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.92 -31.34 62.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -78.8 -33.72 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -59.88 -37.72 80.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 103' ' ' GLN . 58.3 t -70.9 -56.22 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -53.95 -45.08 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -99.08 33.63 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.25 -29.2 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -87.13 -50.26 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.69 -45.32 73.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 46' ' ' LYS . 38.6 mt -64.23 -32.22 73.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.53 1.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.546 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.44 107.88 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -76.31 159.15 80.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HB2' HG12 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.81 -18.53 36.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.7 pt-20 -64.89 -17.42 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 8.7 m-85 -109.94 129.2 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.0 t -109.2 -175.03 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.09 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.537 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 8.6 t -62.88 -8.5 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -100.72 12.22 37.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 44' ' ' LEU . 74.8 mt -92.57 115.7 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -44.61 110.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . 118.05 -37.49 3.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 92' ' ' LEU . 90.3 t80 -35.81 -59.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.7 t -48.1 -43.08 30.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' GLY . 82.5 mt -64.64 -43.21 94.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 89' ' ' PHE . 53.3 mt -47.46 167.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.62 140.79 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.2 m -39.51 -55.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -43.52 -56.58 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.6 m-20 -62.9 -44.26 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 31.4 mttp -46.69 -64.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.11 -36.4 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -56.68 -35.75 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.5 mt -81.22 -38.09 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.43 -41.69 98.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -64.37 -24.83 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.454 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.7 mt-30 -87.73 -47.05 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.0 85.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.53 3.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.0 -112.96 3.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 79' ' ' PRO . 7.0 m -83.47 125.4 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.41 132.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.2 p -88.44 87.67 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -95.91 125.83 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -67.8 150.39 48.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -133.67 150.13 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -123.09 151.47 41.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.4 -124.73 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -137.71 173.8 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -158.51 155.78 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.62 140.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -35.66 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.24 -72.59 0.14 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t 52.88 49.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.2 144.86 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -117.64 174.27 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 m -55.36 167.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.18 145.27 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -144.25 178.27 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.16 119.26 22.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -153.92 177.48 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -108.86 178.49 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -145.22 153.83 25.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -174.76 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 t -132.36 155.64 48.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 t -105.78 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -163.44 140.18 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -157.52 169.65 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.43 -86.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p 45.76 44.51 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -71.22 151.76 44.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.67 177.08 46.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.58 178.61 27.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -119.74 60.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -120.12 179.89 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.64 76.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -108.46 160.75 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -82.85 43.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -109.4 141.75 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' A' ' 81' ' ' TYR . 16.0 mt -68.12 134.54 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.52 -49.39 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.89 -41.05 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -102.72 132.55 48.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.35 129.12 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 125.32 53.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.41 163.12 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -68.57 147.8 51.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.66 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -64.69 143.95 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -98.61 -41.57 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -134.56 149.23 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.58 42.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -108.99 -59.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -37.91 144.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 m -134.87 137.99 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.0 t -71.1 155.38 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -103.34 -27.81 12.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.3 -46.34 90.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 p -105.58 -22.97 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.1 mmm 70.37 47.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 64' ' ' HIS . 5.6 pt-20 -131.47 139.44 49.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 153.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 64' ' ' HIS . 98.3 mt -108.06 113.13 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.96 144.98 26.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -73.05 129.96 39.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.66 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.45 -34.13 5.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -59.03 137.03 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.642 HG21 ' OD2' ' A' ' 96' ' ' ASP . 79.6 t -55.1 139.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -149.35 161.12 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD23 HD13 ' A' ' 86' ' ' LEU . 3.1 mp -128.93 159.97 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.481 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 89.4 p -138.27 143.16 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -123.74 127.69 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -94.35 113.73 25.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.73 170.1 18.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.3 131.3 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -72.33 127.2 90.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.92 29.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.284 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.25 -46.71 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -119.32 80.29 20.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.45 30.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.38 -42.21 99.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -133.47 11.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.1 mmm -67.59 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.551 HD12 ' HD3' ' A' ' 61' ' ' ARG . 43.6 pt -140.25 163.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.28 110.87 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -105.51 176.84 5.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 80.8 m95 -136.43 146.4 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 38.7 m-85 -148.85 139.0 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 28.6 m80 -60.41 148.86 79.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -35.52 25.3 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.378 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.5 -29.69 65.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -79.29 -29.11 42.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -66.85 -37.62 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 104' ' ' LEU . 58.0 t -74.54 -56.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -52.1 -44.67 64.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -101.42 30.6 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -65.23 -32.38 74.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.11 -57.28 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.08 -46.71 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.18 -30.86 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.93 37.6 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -94.08 96.1 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.9 mmp_? -54.14 150.32 15.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.564 0.697 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 13.1 pt-20 -75.36 -22.22 57.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 12.4 m-85 -94.13 144.32 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 p -127.76 171.16 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -59.25 -25.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.5 p -81.76 8.13 10.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -117.17 13.91 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 44' ' ' LEU . 41.6 mt -96.27 129.41 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -55.91 105.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.28 -26.22 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 40.2 t80 -47.81 -54.06 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 t -52.86 -36.96 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.48 -37.95 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' PHE . 95.3 mt -48.06 165.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.23 130.42 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.9 m -32.64 -52.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -45.99 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -60.44 -54.47 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 89' ' ' PHE . 15.3 mtpt -34.99 -59.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.62 -42.37 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.537 ' O ' ' NE2' ' A' ' 103' ' ' GLN . . . -44.98 -52.87 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 63.0 mt -63.26 -60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' LEU . 14.7 mtpp -35.09 -44.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.522 ' HB2' ' NE2' ' A' ' 103' ' ' GLN . 18.9 mtpt -48.92 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 99' ' ' ALA . 7.7 mp0 -69.78 -44.92 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' A' ' 69' ' ' VAL . 14.4 mt -107.42 81.56 1.08 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.571 0.701 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.36 -89.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -80.44 154.93 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' SER . 5.7 mtpt -151.48 152.19 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' LYS . 10.8 t -35.57 -62.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 53.77 52.91 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -96.73 69.19 0.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.69 164.72 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -86.92 132.41 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.82 156.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.98 171.56 13.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -161.63 141.19 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -136.34 127.7 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.1 t -125.62 136.5 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -140.57 171.7 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.86 81.07 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.5 m -81.52 131.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.085 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.4 163.56 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 110.71 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.11 117.69 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 155.76 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -171.64 149.98 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.36 137.38 27.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -117.77 174.92 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -72.01 160.59 32.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -115.53 153.37 17.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -174.82 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -138.7 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -152.97 174.3 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.479 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -119.87 132.76 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 m -84.65 168.86 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.55 120.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -110.67 -53.89 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -67.06 153.78 42.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 124.27 1.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.99 117.69 1.04 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -126.64 156.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -118.13 115.45 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.76 113.11 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.59 -40.68 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -121.67 45.43 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.0 m -154.29 129.42 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.11 134.78 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.09 -50.12 4.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.87 -42.82 18.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.07 147.96 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -160.92 137.41 8.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -114.51 132.38 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -174.02 162.96 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -61.34 154.24 24.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -66.41 130.38 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -69.88 -51.56 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -138.85 158.07 44.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -82.99 48.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' SER . 3.0 mmp_? -114.35 -52.51 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 37' ' ' ILE . 7.2 m -38.37 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 35' ' ' GLU . 99.4 m -140.51 129.01 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.49 117.47 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -77.68 -18.69 56.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.28 -52.85 36.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.3 p -115.87 20.36 14.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.7 mtm 48.88 38.26 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 29' ' ' THR . 9.0 mm-40 -102.28 173.21 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.4 128.36 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 28' ' ' SER . 70.7 mt -84.18 120.41 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' CG ' ' HG3' ' A' ' 41' ' ' GLN . 11.2 pt-20 -89.09 152.31 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 65.5 tttt -67.42 134.28 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.85 -40.21 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HG3' ' CG ' ' A' ' 38' ' ' GLU . 35.2 mm-40 -67.82 123.12 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.88 138.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 23.3 ptt180 -150.98 152.86 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -116.91 155.29 29.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -120.04 136.38 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CE ' ' HB3' ' A' ' 75' ' ' LEU . 24.0 tttt -123.22 111.21 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -78.3 115.78 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.0 ptm -162.51 161.36 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.2 t -96.86 132.2 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.43 132.92 60.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.95 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.4 -50.88 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -114.37 75.04 3.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.54 0.686 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.05 37.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.76 -40.49 92.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.86 -42.56 90.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.08 -134.08 12.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.1 124.98 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.79 169.08 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.36 110.97 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -110.9 167.37 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.637 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 44.8 m95 -128.01 153.86 46.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 4.0 m-85 -150.18 171.83 16.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -85.33 144.66 41.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.26 33.05 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.5 -36.34 62.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.2 m -74.58 -32.98 62.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CD2' HD22 ' A' ' 44' ' ' LEU . 41.5 t80 -58.0 -38.39 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 104' ' ' LEU . 43.3 t -75.91 -55.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.78 -42.64 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.1 m-20 -101.19 34.93 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 28.8 ptt-85 -70.95 -54.22 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.4 mt-10 -58.98 -63.22 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 75' ' ' LEU . 3.0 pt-20 -39.65 -45.27 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 71' ' ' ASN . 27.6 mt -72.95 -35.84 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.44 40.84 1.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 43.9 t80 -91.22 92.75 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 44.4 mtt85 -50.43 152.48 3.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.77 35.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 6.8 pt-20 -64.94 -22.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 5.9 m-85 -84.54 133.38 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 p -129.22 166.68 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -54.47 -39.19 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.1 t -58.73 -38.08 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 14' ' ' THR . 14.1 mt-30 -66.15 -34.89 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.8 mt -51.09 130.48 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.558 ' HA ' HG21 ' A' ' 14' ' ' THR . 31.6 tttp -67.34 121.46 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.77 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 26.4 t80 -83.05 -51.29 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -53.71 -36.01 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.1 149.72 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.6 139.91 55.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.6 m -44.14 -42.29 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.2 -58.56 2.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 2.9 p30 -66.59 -47.05 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.532 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 17.7 mttm -37.85 -68.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . 32.5 mt-10 -46.44 -38.77 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -63.65 -44.68 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLN . 52.5 mt -70.21 -55.7 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 98' ' ' GLU . 7.7 mtmp? -38.2 -47.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.38 -38.4 74.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 7.6 mm-40 -61.83 -51.27 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 69' ' ' VAL . 10.9 mt -112.08 76.88 1.91 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.98 36.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.59 -99.31 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.2 m -85.63 135.79 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -148.47 122.26 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.2 m -106.53 144.35 33.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -170.99 168.7 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.24 -153.02 13.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -139.2 -179.94 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.74 158.66 43.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.58 150.32 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.28 167.66 21.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.94 173.36 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -156.22 163.4 39.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.52 143.11 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -103.66 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -96.5 -142.36 13.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.19 137.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.25 165.83 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -111.19 178.37 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.38 145.98 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.12 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.79 130.87 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 128' ' ' LYS . 13.3 pttp -163.74 147.06 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -36.17 111.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.4 p -48.27 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -157.37 150.46 21.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -172.59 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t 66.85 42.44 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.6 p -87.56 139.36 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.801 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.51 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -71.3 138.04 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 54.69 42.12 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.01 161.57 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -157.4 142.36 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -124.73 126.23 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.97 177.98 19.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.92 128.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -134.18 112.73 11.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -108.84 124.89 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -95.36 177.27 5.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -75.48 80.82 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 87' ' ' LYS . 47.0 m -150.11 138.32 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 81' ' ' TYR . 40.8 mt -74.78 97.84 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.18 -48.28 47.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -49.15 -34.17 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 93.7 m-85 -106.67 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.9 148.59 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -134.36 127.08 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -168.9 177.21 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.15 135.63 36.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -62.25 151.23 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -92.53 -49.79 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -133.54 156.17 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -81.53 45.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -100.58 -54.45 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 37' ' ' ILE . 66.5 m -50.82 132.31 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 35' ' ' GLU . 67.1 m -122.89 143.33 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 46.3 t -76.46 151.79 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.53 -26.63 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.07 -51.29 40.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -98.86 -15.55 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp 61.28 47.3 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 4.7 pt-20 -132.49 138.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 144.57 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 28' ' ' SER . 35.7 mt -92.83 125.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.25 141.13 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -66.37 140.38 58.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.43 -41.11 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.71 136.92 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.68 137.6 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 31.6 ptt180 -137.72 171.58 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -144.64 128.34 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.2 p -106.98 126.09 51.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 ttpp -114.78 118.19 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -65.71 104.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ptm -164.18 159.88 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' C ' ' A' ' 57' ' ' GLY . 2.8 m -89.36 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.61 126.31 47.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.3 34.5 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.783 2.322 . . . . 0.0 112.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -103.46 -42.22 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -122.34 84.5 46.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.79 7.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.377 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -61.52 -53.14 60.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.8 -36.57 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.586 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 82.57 -133.36 11.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -64.16 120.29 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' CZ ' ' A' ' 61' ' ' ARG . 6.4 pt -145.3 150.64 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.16 110.37 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' CZ ' HD12 ' A' ' 59' ' ' ILE . 18.2 mmt-85 -101.78 173.62 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 99.1 m95 -138.83 150.71 46.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.87 125.57 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 43.2 m80 -55.76 151.18 23.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.91 -41.39 32.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.68 -35.61 74.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -74.99 -31.27 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.06 -43.94 97.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG12 ' OE2' ' A' ' 110' ' ' GLU . 60.4 t -64.01 -45.59 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -64.03 -59.42 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -87.89 31.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.8 ptm180 -67.29 -41.15 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 17.0 mm-40 -65.37 -67.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HB2' ' CE ' ' A' ' 112' ' ' LYS . 4.4 tm-20 -41.68 -49.3 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.24 -33.98 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.61 42.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 5.4 t80 -88.43 99.43 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -49.41 156.19 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.528 ' HB2' HG12 ' A' ' 107' ' ' VAL . 54.2 Cg_endo -69.8 -26.35 27.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.77 28.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 15' ' ' LEU . 4.3 m-30 -109.4 136.98 47.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -132.63 172.06 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.9 p -60.3 -13.69 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -90.32 15.17 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 20' ' ' ALA . 62.0 mt -98.75 137.5 37.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HA ' HG21 ' A' ' 14' ' ' THR . 13.1 mtpp -64.0 113.5 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.97 31.61 9.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 t80 -79.64 -38.37 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 t -65.45 -33.49 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.07 -45.64 91.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.2 mt -44.47 166.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.68 137.54 35.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ALA . 55.2 m -36.72 -47.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.15 -55.05 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -49.41 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.87 -51.78 54.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.95 -48.11 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -48.54 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -50.08 -50.85 46.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -55.38 -49.97 70.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' VAL . 33.7 mm-40 -59.58 -46.65 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.75 76.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.392 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.35 -83.5 0.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.528 HG12 ' HB2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -102.24 125.32 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 60.9 tttt -161.32 131.62 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 p -133.49 103.97 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.517 ' OE2' HG12 ' A' ' 69' ' ' VAL . 20.6 mt-10 -89.5 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.99 168.9 16.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.407 ' CE ' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -163.04 167.83 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -131.96 175.7 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -113.88 174.62 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -152.24 -155.22 6.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -97.0 176.38 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.316 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -154.46 132.42 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.3 t -105.98 145.6 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -153.43 139.21 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -169.51 126.52 1.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.4 p -137.07 135.97 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -158.22 160.08 36.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -171.31 165.47 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.8 t -89.39 126.23 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.53 104.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -146.4 128.92 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 82.63 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.66 125.36 38.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.8 m -148.44 136.17 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.53 -162.94 21.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.59 3.59 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.8 p -158.34 120.13 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 57.3 p -172.95 116.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.464 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -170.37 156.47 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 p -118.54 160.67 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.89 -161.62 10.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -158.21 168.77 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -127.47 177.86 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.01 154.39 24.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.78 134.34 2.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -170.34 122.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.407 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -129.04 178.16 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.3 98.15 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -153.59 163.67 39.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -83.52 42.32 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -102.7 155.46 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.82 119.49 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 -47.26 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -52.82 -42.07 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 98.3 m-85 -103.42 130.6 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.0 140.72 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -126.24 126.92 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HA ' HD21 ' A' ' 92' ' ' LEU . 13.5 pt-20 -168.67 169.35 10.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -65.35 154.27 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.5 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -87.75 -49.25 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -138.79 151.76 47.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -82.53 40.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -92.2 -58.56 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 t -50.9 158.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 m -140.24 132.04 27.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.5 t -64.82 152.64 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -101.02 -26.47 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.65 88.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.63 -4.65 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.3 mtm 52.91 43.98 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -127.31 142.0 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 151.59 8.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 64' ' ' HIS . 66.9 mt -99.45 123.76 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.04 128.19 35.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -59.79 141.22 55.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.81 -33.08 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -66.83 140.89 57.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.01 145.24 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -152.44 164.97 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.5 mp -130.82 157.63 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.2 p -125.87 146.46 49.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD3' HD22 ' A' ' 75' ' ' LEU . 16.2 tttt -137.92 114.83 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 12.0 ttmt -79.03 123.64 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.8 ptm -164.17 156.98 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.6 t -84.73 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.09 122.75 88.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -26.54 27.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -81.97 -41.8 20.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -118.66 82.21 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.21 35.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.29 -43.72 90.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -58.66 -54.23 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -131.94 10.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.479 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -68.76 121.68 17.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 pt -134.75 166.61 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.95 122.15 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -108.91 168.4 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.61 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 86.5 m95 -133.24 152.48 51.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 31.4 m-85 -157.33 129.99 7.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 32.4 m80 -52.1 148.36 11.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.603 0.716 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.99 -32.2 17.59 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.94 56.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 m -79.95 -33.65 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' HD22 ' A' ' 44' ' ' LEU . 30.8 t80 -58.68 -33.43 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.39 -51.3 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -56.05 -45.35 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -98.15 25.32 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -60.98 -46.15 91.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -74.7 -48.04 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.54 -45.45 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HD3' ' A' ' 46' ' ' LYS . 59.2 mt -67.93 -35.98 79.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.446 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 12.2 t80 -89.31 102.68 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 39.6 mmt180 -61.84 153.01 74.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -11.34 30.68 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.662 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 5.0 pt-20 -78.51 -15.97 58.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CE1' ' CG ' ' A' ' 80' ' ' GLU . 2.0 m-85 -92.92 130.56 38.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.4 p -125.52 173.84 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.54 -36.17 83.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.548 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.3 m -53.44 -36.63 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -74.62 -34.95 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 20' ' ' ALA . 95.4 mt -52.05 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -45.46 115.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 119.93 -35.08 3.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.4 t80 -41.23 -60.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.0 t -51.41 -27.17 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HA2' ' A' ' 88' ' ' GLY . 54.0 mt -82.37 -39.47 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 21' ' ' GLU . 71.7 mt -49.39 148.3 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.7 132.93 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 8.6 m -33.67 -66.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' THR . 12.4 pt-20 -37.62 -46.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.5 m-20 -71.64 -51.07 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -38.88 -57.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.03 -49.32 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -44.39 -46.4 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.66 -47.9 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -44.32 -49.61 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -55.68 -53.28 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.13 -50.3 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.61 81.87 3.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.18 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.94 -102.76 2.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.01 137.64 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.407 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -170.41 136.64 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -132.66 110.2 10.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 2.5 pp20? -99.66 39.8 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.28 -54.5 3.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 43.58 40.9 3.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -96.17 102.26 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.53 163.14 19.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 170.11 90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -164.5 135.8 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -157.57 177.76 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.21 140.83 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -152.26 155.55 37.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.67 109.02 1.69 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.28 134.14 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.34 141.36 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.29 144.76 49.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.3 137.09 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -120.05 92.58 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -129.01 159.74 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -126.61 148.56 49.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 156.39 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 t -121.09 174.78 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -125.45 101.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -174.25 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.709 2.272 . . . . 0.0 112.287 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.1 m -109.3 179.43 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -144.81 148.14 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.47 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -154.32 151.47 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -162.96 169.28 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.27 145.77 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -163.23 147.06 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -151.82 169.97 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.34 16.24 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.48 90.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -109.83 127.21 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.43 -45.53 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.79 22.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -130.44 -34.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 59.96 50.78 6.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.1 m -148.17 144.75 27.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -74.39 114.39 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.73 -36.51 47.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.19 -42.08 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 29.4 m-85 -101.91 126.57 48.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.58 139.49 46.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.28 123.34 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -164.29 168.53 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -66.2 125.87 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -49.68 110.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.8 -50.62 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -132.07 150.24 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -84.06 39.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -96.86 -55.9 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -42.86 132.28 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.8 m -119.86 127.06 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.1 t -60.99 155.49 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -102.38 -26.1 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -50.6 43.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 p -100.58 -20.68 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.6 mtm 65.33 50.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.47 138.04 47.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 140.74 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.401 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.4 mt -91.09 139.18 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.23 153.25 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -83.03 113.56 20.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.3 -39.98 2.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.44 130.42 46.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.6 t -42.71 138.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.547 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 37.6 ptt180 -139.63 172.1 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.2 mt -146.99 136.5 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 63.2 p -116.85 140.79 49.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -117.85 144.08 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 21.4 tttm -119.27 102.34 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -155.12 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.76 129.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -83.16 128.61 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.89 29.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -87.64 -42.04 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -128.07 83.88 64.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.34 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.61 -30.69 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.37 -44.13 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.64 -122.76 6.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.3 113.9 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 ' HD3' ' A' ' 61' ' ' ARG . 29.4 pt -124.36 164.58 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -131.04 111.35 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.662 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -110.58 -178.93 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.547 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 62.2 m95 -138.36 137.0 36.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.3 m-85 -141.76 126.44 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -50.08 154.93 1.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 -38.54 31.56 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.24 -40.46 70.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.2 m -71.79 -40.05 69.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -49.36 -42.97 43.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.09 -48.67 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -55.49 -46.99 76.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -100.52 32.49 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 13.8 ptt180 -67.98 -30.05 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 13.2 pt-20 -87.72 -50.1 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.9 -43.01 69.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.9 mt -67.38 -31.97 72.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.75 42.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -91.72 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -74.19 157.02 87.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.1 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 12.3 pt-20 -72.07 -22.78 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 12.6 m-85 -86.58 138.99 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.9 p -130.7 171.6 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.31 -33.45 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -66.12 -32.24 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.62 ' O ' HG23 ' A' ' 14' ' ' THR . 6.6 mt-30 -72.02 -31.27 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 83' ' ' ALA . 40.4 mt -51.11 129.97 25.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 14' ' ' THR . 17.1 ttpp -63.4 108.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.93 33.23 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 37.7 t80 -81.99 -48.54 11.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -59.39 -33.66 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.73 -36.35 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.506 HD13 HD12 ' A' ' 100' ' ' LEU . 78.6 mt -49.69 172.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLU . . . -91.26 131.76 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ALA . 89.0 m -34.05 -33.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.6 tt0 -76.67 -48.19 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -63.53 -41.78 98.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -45.49 -58.68 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.83 -46.23 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.25 -41.05 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 92' ' ' LEU . 93.4 mt -78.13 -33.04 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -66.36 -40.54 89.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -67.03 -25.56 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.06 -44.39 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.65 88.5 7.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.82 31.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.397 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.89 -133.61 11.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -38.14 157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -116.03 103.68 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 p -112.13 160.88 17.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 66.26 45.01 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.26 -174.66 20.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 157.19 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -120.25 149.6 42.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -164.94 139.01 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.69 -134.54 2.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.4 112.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -91.17 91.22 8.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -90.25 138.72 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.73 138.08 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 145.49 -163.88 28.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t 59.46 49.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.35 115.61 25.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 124' ' ' VAL . 26.4 mt-10 -106.31 44.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' GLU . 8.7 t 33.18 54.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.89 133.24 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.19 159.54 17.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -154.81 162.65 41.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -144.71 155.5 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.3 p -165.09 171.71 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -149.95 155.1 26.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m 47.84 41.65 14.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -94.04 158.8 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -126.5 161.86 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -143.86 154.03 42.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.82 96.95 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -130.5 138.61 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -149.76 131.39 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.85 -133.88 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.85 149.5 5.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -106.69 128.6 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -148.08 124.17 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.97 76.02 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -146.77 161.12 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -91.51 83.26 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.682 HG21 ' HG2' ' A' ' 87' ' ' LYS . 54.6 m -151.27 144.02 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.14 96.04 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -53.49 -56.13 21.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -34.16 -44.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.0 148.34 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.97 140.47 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.91 135.04 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.01 167.02 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -70.61 125.97 28.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.88 136.71 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -82.08 -53.31 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 151.96 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -81.09 49.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' SER . 54.6 mtm180 -103.69 -65.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ARG . 72.7 m -35.98 144.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -132.63 127.75 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -62.2 153.74 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -100.32 -33.45 10.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.48 -55.78 28.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.3 p -97.35 -6.11 34.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.4 mtt 52.62 51.3 16.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.6 146.17 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 159.16 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 64' ' ' HIS . 72.8 mt -108.74 127.32 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -65.44 140.87 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -70.52 113.89 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.84 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.71 -44.26 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.31 129.77 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -43.34 132.71 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 38.2 ptt180 -131.88 175.83 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.35 139.04 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 59.7 p -121.5 152.56 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 75' ' ' LEU . 7.9 ttmm -138.9 110.62 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.25 117.26 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 48' ' ' MET . 4.8 ppp? -163.59 159.45 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.69 138.81 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.88 122.57 78.12 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -19.04 36.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -86.36 -39.33 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -122.63 77.37 47.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.87 -43.1 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.41 -54.86 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.79 -116.56 5.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.2 OUTLIER -79.46 113.71 17.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.5 pt -127.94 158.74 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.07 128.09 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -114.03 173.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 86.2 m95 -138.28 146.56 42.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 95.9 m-85 -154.39 125.71 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 35.4 m80 -52.93 151.5 8.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.812 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.06 -41.65 33.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.45 92.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.4 m -70.81 -38.45 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.95 -44.9 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.72 -54.21 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -47.01 -53.28 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -99.37 33.14 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -60.2 -44.69 94.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.98 -46.24 30.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.04 -47.12 84.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 46' ' ' LYS . 14.0 mt -60.37 -33.92 73.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.91 43.52 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' TYR . 6.2 t80 -100.88 95.28 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -41.06 154.52 0.22 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' GLY . 53.7 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.3 21.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 4.8 m-30 -107.0 137.05 45.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -131.36 171.26 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.75 -32.42 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.1 m -52.62 -42.24 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' THR . 87.2 mt-30 -64.72 -36.7 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.4 mt -52.47 126.98 21.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HG2' HG21 ' A' ' 14' ' ' THR . 10.1 mtpt -57.99 150.44 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 82.51 -38.24 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 84.5 t80 -35.7 -54.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 t -56.65 -40.19 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' GLY . 44.2 mt -66.86 -42.84 85.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 89' ' ' PHE . 65.5 mt -47.97 167.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.33 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -40.89 -53.4 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.93 -55.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.48 -52.39 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 21.7 mttt -41.29 -45.41 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -61.21 -50.45 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.96 -55.55 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.6 mt -53.15 -62.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -39.21 -55.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -49.64 -38.11 30.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -74.02 -38.92 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.81 94.06 11.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -13.41 34.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 94.59 -112.9 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -55.8 156.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 109' ' ' SER . 25.1 tptt -115.71 145.59 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 20.6 m -36.9 129.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.75 167.63 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -109.93 -176.0 20.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -137.98 134.74 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 51.58 42.25 29.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -87.34 158.38 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.98 -137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -156.51 129.49 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -61.67 150.42 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.0 t -46.8 137.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -148.36 116.32 6.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.28 172.52 29.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.5 t -135.55 116.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -116.4 176.15 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -166.82 156.31 10.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.9 t -145.28 149.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.31 79.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -95.7 148.71 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -56.79 88.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.12 153.28 21.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.4 t -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.96 128.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.13 27.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -114.19 163.1 15.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 m -113.21 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -110.76 141.24 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -106.82 157.39 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.01 -157.84 9.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -156.15 139.77 15.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -171.06 153.02 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.51 35.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.71 106.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.0 p -118.66 154.82 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -175.01 111.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.22 98.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 144.4 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.08 87.64 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' GLN . 72.0 m -148.88 145.3 27.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 81' ' ' TYR . 56.2 mt -53.34 134.88 39.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.48 -43.14 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -88.22 33.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 89.0 m-85 -156.93 135.59 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.92 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -147.29 130.63 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.17 154.08 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -51.6 131.68 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.676 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -59.58 137.68 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -80.25 -48.43 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m -127.59 161.74 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -94.97 40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 28' ' ' SER . 16.5 mmt180 -99.28 -59.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.6 p -36.67 152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.2 m -140.95 132.28 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.5 t -63.45 155.45 29.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.7 mmmt -103.03 -26.16 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.14 -51.85 31.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -99.19 -23.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmm 68.12 53.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -134.35 135.33 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.14 143.56 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.5 mt -97.75 122.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.77 145.22 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -71.66 115.95 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.676 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.06 -49.31 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.37 132.0 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.58 137.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.552 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 31.1 ptt180 -134.35 168.92 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.8 mt -141.12 138.1 33.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 54.5 p -127.81 150.41 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.88 112.34 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 3.6 ttmp? -74.49 117.86 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.15 173.18 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' C ' ' A' ' 57' ' ' GLY . 79.8 t -106.26 133.22 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.01 124.46 87.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.35 30.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.23 -33.95 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -125.53 78.54 68.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.33 37.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 24.9 pt20 -59.84 -40.36 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.3 mt -71.29 -51.95 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 88.8 -125.17 7.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -69.61 124.91 25.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.604 HD12 ' CD ' ' A' ' 61' ' ' ARG . 14.1 pt -142.8 169.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -134.4 109.44 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.604 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -100.06 178.55 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 56.6 m95 -138.3 150.74 46.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 59.2 m-85 -154.7 132.88 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 33.7 m80 -57.88 152.3 38.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.04 -39.98 33.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.01 -34.04 75.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 m -75.35 -39.01 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -52.72 -45.17 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.96 -49.28 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -55.75 -53.18 59.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.93 30.56 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 19.6 ptt180 -63.72 -44.56 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 12.9 pt-20 -70.44 -44.43 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.07 -55.89 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -57.13 -33.8 67.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.19 39.73 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 81' ' ' TYR . 21.8 t80 -91.28 95.02 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -61.64 153.56 70.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.92 4.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.8 -23.35 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.774 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.7 m-85 -83.06 135.58 34.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.3 p -125.52 161.85 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 89' ' ' PHE . . . -59.02 -31.48 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.8 m -57.68 -35.47 70.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' THR . 18.7 mt-30 -75.19 -37.22 61.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 39.9 mt -51.62 112.35 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 14' ' ' THR . 39.4 mttt -46.38 135.62 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 96.87 -35.79 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 87.1 t80 -36.89 -59.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -50.62 -37.84 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' GLY . 66.8 mt -67.9 -42.68 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.527 HD13 ' OD2' ' A' ' 96' ' ' ASP . 77.4 mt -48.15 142.82 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -60.55 134.87 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.2 m -33.34 -57.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.0 tt0 -35.67 -55.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 92' ' ' LEU . 9.7 t0 -69.09 -49.75 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.6 mtpt -34.89 -51.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -65.75 -49.33 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.09 -57.09 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' LYS . 36.0 mt -58.3 -57.18 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' LEU . 58.0 mttt -35.08 -53.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -49.8 -47.55 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' LEU . 8.6 mt-30 -66.39 -49.34 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.8 mt -115.09 74.88 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -9.08 25.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.77 -88.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 108' ' ' LYS . 2.3 t -101.02 150.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.087 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' N ' ' CG1' ' A' ' 107' ' ' VAL . 2.5 mmmm -83.71 -62.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.2 t -118.69 130.21 55.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.57 -45.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.49 -63.6 4.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -100.08 146.66 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -112.28 165.0 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -42.52 152.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.66 93.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.7 110.9 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.26 153.59 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.93 143.4 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.15 -41.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 140.52 59.27 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.451 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -102.29 88.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.4 162.57 29.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -63.48 135.3 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.73 136.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.37 126.06 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.7 147.42 15.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 130.51 43.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -102.0 143.75 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 m -75.66 144.63 41.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -97.27 171.65 27.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 171.43 14.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 t -114.93 138.44 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.6 p -94.74 176.16 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.491 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 m -91.15 109.66 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -149.48 116.26 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.38 89.67 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -126.26 127.38 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -122.09 139.1 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 57.82 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.79 -139.18 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -167.22 137.32 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.953 0.406 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.93 132.33 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.88 139.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.2 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -133.01 94.92 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -143.76 151.93 40.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.13 122.79 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.01 -50.62 4.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -47.7 -41.05 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -102.56 139.82 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.55 135.62 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -111.44 131.62 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 3.6 mt-10 -154.24 -176.21 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -96.22 135.82 37.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -65.66 80.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' ALA . 45.2 tttp -34.34 -45.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p -135.81 156.1 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -85.06 38.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -91.11 -59.52 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -46.1 146.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 m -133.96 132.97 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -66.0 149.0 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -99.41 -23.37 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -41.98 84.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.6 p -109.94 -18.8 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt 66.81 46.78 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -132.2 140.86 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -49.29 152.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.429 HG12 ' NE2' ' A' ' 64' ' ' HIS . 71.7 mt -105.25 99.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -38.26 154.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -80.13 137.28 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.37 -33.92 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -55.44 135.61 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 92' ' ' LEU . 37.9 t -53.47 139.52 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -135.79 161.2 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.33 132.86 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 24.6 p -108.69 151.92 25.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HD2' HD22 ' A' ' 75' ' ' LEU . 44.1 tttm -138.01 112.02 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -75.28 114.68 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.414 ' N ' ' HE1' ' A' ' 58' ' ' MET . 5.6 ptm -164.55 161.64 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.5 132.05 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.39 126.79 87.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.42 37.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.51 -37.27 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -126.97 80.38 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -0.08 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.41 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -46.78 11.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.92 -53.89 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.68 -137.38 13.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -67.87 118.21 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 pt -123.95 169.48 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 111.01 16.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 8.8 mmp_? -96.0 173.51 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 97.4 m95 -138.74 146.63 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.8 m-85 -157.04 140.26 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -68.35 151.68 97.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.95 -40.23 32.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.1 94.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.94 -44.12 73.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -46.57 -35.05 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.81 -38.29 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -55.2 -49.53 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.35 34.92 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.54 -38.49 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.57 -47.51 12.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.04 -44.45 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 46' ' ' LYS . 35.5 mt -61.16 -35.93 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.67 37.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -88.52 124.92 34.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -87.08 156.02 54.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -98.13 -26.52 14.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -80.14 119.67 23.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -120.73 177.86 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.72 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 46.4 t -56.98 -21.92 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -83.76 -33.66 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -52.45 138.23 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 34.5 mtpt -62.62 155.33 26.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . . . 35.87 39.83 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 12.4 t80 -83.03 -43.11 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 t -64.0 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.05 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 42' ' ' VAL . 91.6 mt -54.1 155.23 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 132.31 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -39.59 -53.11 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.64 -53.0 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -63.54 -43.31 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.04 -40.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.05 86.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.18 -36.12 79.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.97 -46.95 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.7 -44.69 73.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.75 -45.42 89.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.52 81.21 1.76 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.67 37.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 103.06 -139.5 14.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 106' ' ' GLY . 1.1 t -31.75 125.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -76.76 -36.11 57.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 t 72.25 37.82 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.04 153.16 32.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -127.95 96.19 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -161.85 131.23 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -89.19 98.74 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -73.4 -44.34 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.37 162.61 11.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -99.75 161.64 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -121.61 148.23 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -94.46 113.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -78.08 137.9 38.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.37 164.97 38.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.58 145.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -43.93 104.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' VAL . 15.3 pt-20 -115.48 142.94 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 124' ' ' VAL . 20.7 t 35.17 48.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.0 130.17 55.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -41.96 160.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 98.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 173.18 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -49.86 107.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.23 -82.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.83 11.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 133' ' ' SER . 30.5 p -157.44 140.38 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.811 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 132' ' ' SER . 74.8 p -36.92 116.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.466 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -141.16 166.19 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -171.47 145.29 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.91 135.87 1.89 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -157.4 141.11 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -146.5 167.36 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 177.4 31.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.96 162.28 28.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.9 p -138.61 132.45 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -154.35 134.23 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.93 41.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -103.25 175.81 5.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -91.66 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 87' ' ' LYS . 2.9 m -107.58 132.33 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 18' ' ' PHE . 50.5 mt -45.68 161.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.18 -48.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -91.95 39.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 86.0 m-85 -155.21 127.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.93 155.86 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -148.71 123.26 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -171.31 166.87 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.71 128.78 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -40.67 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -51.89 -40.56 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -134.99 162.07 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 48.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -122.46 -11.03 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 37' ' ' ILE . 3.1 p -75.25 153.36 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.8 m -135.53 129.24 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 49.6 t -68.02 123.0 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -81.71 -22.55 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.5 97.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.6 27.19 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm 40.64 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' THR . 2.0 mm-40 -104.27 166.93 10.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CD ' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -101.43 133.35 46.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 28' ' ' SER . 24.9 mt -92.43 130.85 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 mp0 -87.1 166.13 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 24.0 tttm -89.11 127.59 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.87 -29.07 9.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -78.87 140.1 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.73 134.44 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 33.6 ptt180 -137.68 170.03 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD23 ' HB2' ' A' ' 20' ' ' ALA . 7.9 mt -140.68 144.61 35.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.7 p -129.63 160.88 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 23.3 tttm -142.53 118.05 10.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -71.83 113.11 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ptm -164.21 163.39 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.57 150.64 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -89.71 123.44 66.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.03 37.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.09 -49.33 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -115.23 82.05 8.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.232 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -52.15 -33.4 40.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -73.49 -51.65 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.54 -124.81 8.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.8 mmm -72.78 125.63 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 ' HD3' ' A' ' 61' ' ' ARG . 6.7 pt -139.46 166.64 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.51 110.8 16.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' HD12 ' A' ' 59' ' ' ILE . 28.3 mmm180 -101.08 170.58 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.6 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 30.7 m95 -135.51 151.34 50.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 3.6 m-85 -153.33 159.9 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -75.94 149.26 82.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.96 -36.24 26.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.64 -33.25 52.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -78.81 -26.47 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 44' ' ' LEU . 26.2 t80 -65.95 -35.51 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -77.21 -52.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -49.31 -38.14 26.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -111.47 34.04 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -68.85 -41.04 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.59 -47.88 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.34 -51.41 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.6 -35.8 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.32 35.42 1.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 6.1 t80 -94.19 104.3 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -60.25 150.88 70.16 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.57 12.27 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -99.14 19.89 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 20.8 m-85 -116.93 152.49 34.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 p -131.79 -179.67 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.861 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -87.06 -20.68 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.2 p -74.73 -4.69 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -107.91 21.13 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 75.4 mt -96.16 134.62 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.673 ' HA ' HG21 ' A' ' 14' ' ' THR . 24.3 mtmt -57.38 111.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.35 28.7 13.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 34.3 t80 -81.12 -44.52 17.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -63.78 -17.02 62.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -79.24 -38.38 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.63 156.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -74.48 130.62 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ALA . 12.3 m -34.0 -48.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.86 -49.19 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' ALA . 13.7 m-20 -74.87 -48.56 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -38.15 -47.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.28 -45.54 90.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.66 -60.34 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.33 -53.42 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -46.06 -46.69 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -65.09 -48.27 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.47 -36.47 73.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 83' ' ' ALA . 8.6 mt -111.56 79.67 2.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.33 -89.61 1.11 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 t -100.93 148.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -175.01 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 t -84.9 132.81 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -115.35 -67.72 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 168.65 -137.27 4.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -128.5 148.83 50.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -135.87 168.32 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -169.67 111.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.44 -165.05 34.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -170.21 175.41 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 2.9 pp20? -161.95 117.94 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.08 129.83 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.36 162.41 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -145.11 162.67 28.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -97.94 149.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.179 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -175.56 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -151.75 108.94 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.2 133.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 141.38 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 54.99 44.3 28.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -51.49 123.84 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -38.07 147.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -68.88 161.41 28.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.96 73.11 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -176.45 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.3 m -92.41 96.7 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 p -98.24 167.71 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.453 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -156.22 163.1 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 p -155.49 170.6 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.01 61.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -112.41 155.18 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -166.12 158.14 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.89 -173.34 13.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.65 -123.52 1.74 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 t -142.75 148.84 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 99.07 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.9 142.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.7 -39.39 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -121.51 47.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -145.99 143.06 29.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 81' ' ' TYR . 30.6 mt -89.09 115.54 26.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.25 -52.09 11.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.458 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 31.2 p-10 -38.55 -41.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 82.2 m-85 -102.79 134.09 46.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.71 130.22 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -126.26 115.71 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.682 ' HA ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -156.64 175.22 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -73.95 115.3 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.87 113.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.96 -43.3 91.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -136.55 159.98 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -83.77 43.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -110.23 42.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.649 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.8 m -134.55 146.46 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.5 m -137.99 130.2 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.55 125.55 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -80.44 -25.97 38.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.98 -50.36 66.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -118.79 27.33 8.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' CYS . 31.0 mtm 37.31 39.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 29' ' ' THR . 5.1 mm-40 -99.56 169.64 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 131.02 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 28' ' ' SER . 22.3 mt -87.57 118.1 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.47 166.98 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -82.59 129.49 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.65 -42.76 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -53.42 124.52 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.447 HG21 ' OD1' ' A' ' 96' ' ' ASP . 53.8 t -43.08 126.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.636 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 33.4 ptt180 -131.57 146.14 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 20' ' ' ALA . 9.9 mt -117.97 122.65 43.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 52.3 p -100.92 137.39 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HG2' HD22 ' A' ' 75' ' ' LEU . 8.3 tptt -121.0 136.65 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -82.48 104.58 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -163.67 149.5 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.62 145.1 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.11 123.72 84.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -12.09 32.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -94.23 -34.1 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -134.42 80.45 51.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -14.0 35.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.38 -22.08 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.83 -46.34 11.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.59 -134.9 11.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.42 130.22 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.3 pp -150.18 141.08 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.9 128.24 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -126.6 177.99 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.636 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 29.8 m95 -139.1 141.91 38.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 1.3 m-85 -137.57 174.07 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -88.42 144.69 34.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.7 Cg_exo -48.02 -38.46 31.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.632 2.222 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.61 -37.36 46.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -75.02 -25.34 58.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 75' ' ' LEU . 41.0 t80 -66.55 -42.15 87.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 103' ' ' GLN . 48.3 t -66.21 -48.07 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -52.83 -43.34 65.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -105.48 32.21 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 18.6 ptt180 -62.71 -50.32 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' ARG . 8.1 pt-20 -63.59 -46.03 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.69 -52.3 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD22 ' HG2' ' A' ' 46' ' ' LYS . 25.5 mt -55.29 -27.71 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.42 42.82 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -105.62 106.39 16.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.99 154.3 92.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -24.23 29.91 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.45 -14.97 62.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 15' ' ' LEU . 23.5 m-85 -93.03 138.82 31.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.0 p -125.35 166.84 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -49.25 -31.05 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 3.1 t -64.01 -35.62 81.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 15' ' ' LEU . 12.7 mm100 -67.95 -29.25 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 HD21 ' A' ' 44' ' ' LEU . 81.4 mt -59.08 118.64 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.83 122.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 107.61 -34.67 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 88.1 t80 -34.88 -65.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -46.21 -35.77 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.8 mt -72.96 -36.87 67.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 21' ' ' GLU . 85.2 mt -55.05 144.85 22.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.7 151.14 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.5 m -49.02 -59.47 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -40.42 -44.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.593 ' OD2' HD13 ' A' ' 92' ' ' LEU . 13.2 t0 -68.6 -50.7 49.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 23.8 mttt -42.61 -53.83 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.76 -44.31 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.38 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.1 mt -74.05 -53.62 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -39.23 -42.39 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -59.5 -53.92 52.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' HB3' HG21 ' A' ' 69' ' ' VAL . 15.1 mm100 -61.94 -49.98 73.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.29 77.36 2.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -23.26 31.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 121.74 -165.0 14.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 106' ' ' GLY . 1.2 t -32.04 117.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -97.16 38.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 t -44.74 -53.49 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.57 113.91 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.19 -131.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -128.69 154.12 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -179.99 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -119.11 -43.83 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -141.57 135.31 6.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.95 117.79 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -120.3 84.62 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.28 139.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 80.83 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -88.97 80.13 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.9 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -49.62 138.65 13.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.75 155.47 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 125' ' ' ALA . 54.3 t -48.2 156.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.179 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.47 ' N ' HG12 ' A' ' 124' ' ' VAL . . . -58.14 137.58 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -134.52 148.01 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.56 141.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -102.74 141.34 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.1 t -70.75 146.04 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.25 159.12 29.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.81 3.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.2 m -103.23 175.92 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.2 m -85.56 171.5 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.493 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 p -126.3 170.51 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 110.866 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -99.5 166.25 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.84 98.39 1.04 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -146.15 136.79 24.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 39.67 50.65 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.08 98.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.8 166.85 11.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -164.02 160.53 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.827 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.6 155.67 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.81 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -124.58 -38.2 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.23 3.92 9.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -101.35 152.27 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' TYR . 15.1 mt -102.02 129.99 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.07 -49.43 8.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.473 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 50.4 m-85 -104.82 133.62 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.07 131.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.79 132.71 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.89 160.18 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.13 129.67 41.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -47.03 127.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' SER . 11.5 ptpt -73.35 -31.67 64.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 58.5 m -138.6 163.86 30.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 39' ' ' LYS . 1.4 p30 -100.34 35.08 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' SER . 31.4 mmt180 -112.18 -60.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ARG . 49.6 m -33.76 110.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -95.42 138.88 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.3 t -62.38 154.27 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 24.9 tptt -100.94 -31.93 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.26 -69.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.6 p -84.12 -19.75 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmm 67.9 49.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -129.08 134.57 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -39.53 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.602 HG23 ' OE1' ' A' ' 41' ' ' GLN . 55.4 mt -129.21 123.14 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 154.06 41.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HB2' ' N ' ' A' ' 26' ' ' ASN . 49.9 tttt -87.05 106.14 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 132.11 -31.92 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 37' ' ' ILE . 3.9 pt20 -65.87 145.57 55.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.11 125.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.677 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 39.6 ptt180 -126.78 177.71 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.69 126.24 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 86.9 p -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 38.7 tttm -144.57 112.86 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -77.09 106.96 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.71 159.58 40.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.25 123.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.36 121.73 85.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.306 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.01 -44.63 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -124.44 83.44 57.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -27.69 26.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 55' ' ' GLN . 2.8 mm100 -39.97 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.03 -35.22 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.3 9.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.49 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.0 OUTLIER -64.19 111.19 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.5 173.72 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -131.11 107.74 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.94 171.44 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.677 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 70.4 m95 -133.02 144.02 49.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -147.49 146.1 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 13.1 m80 -69.63 152.65 96.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -29.41 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.29 -35.2 43.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.7 m -75.65 -23.06 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG21 ' OE1' ' A' ' 103' ' ' GLN . 47.7 t -68.1 -56.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -54.49 -44.3 72.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 32.66 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 10.6 ptm180 -70.1 -41.27 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 30.1 mm-40 -79.84 -47.16 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.1 -53.38 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.91 -31.91 42.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.67 2.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 7.5 t80 -89.24 128.35 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.94 153.45 40.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.05 6.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.4 pt-20 -85.16 -15.67 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 15' ' ' LEU . 15.5 m-85 -106.96 136.87 46.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 72.5 m -128.78 167.53 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.75 -31.1 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -66.27 -34.26 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -69.82 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.94 135.24 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -66.12 138.79 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.82 94.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.84 -42.19 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 m -68.37 -22.57 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.52 -27.42 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.14 169.45 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 96' ' ' ASP . . . -79.41 129.16 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.9 m -41.14 -36.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.76 -44.04 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -85.58 -38.39 18.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -44.07 -52.96 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.67 -43.3 97.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.49 -50.9 70.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.68 -41.3 94.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.02 -36.65 73.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -78.49 -48.45 15.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.508 ' OE1' HG21 ' A' ' 69' ' ' VAL . 5.4 mt-30 -57.93 -48.68 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.73 84.77 5.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.29 -101.28 2.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.7 m -74.4 153.12 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -144.09 121.1 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -123.18 176.09 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -123.92 113.85 19.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.73 88.71 0.17 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 113' ' ' ARG . 12.3 ptmt -133.22 178.08 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' LYS . 10.8 mtp180 33.93 54.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -76.29 141.1 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 116' ' ' ASP . . . 147.63 -54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.442 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' GLY . 8.3 m-20 -36.8 134.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -50.65 138.3 18.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' VAL . 12.1 p -59.05 123.52 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.53 152.0 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -45.94 147.06 2.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.525 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.4 p -110.82 146.39 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.89 165.12 7.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' VAL . 0.8 OUTLIER -93.62 170.07 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 124' ' ' VAL . 42.8 t 34.8 44.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.13 145.14 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -89.55 118.33 29.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -102.35 145.34 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -133.26 162.0 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 t -60.93 -53.21 60.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 96.52 69.38 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.83 5.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.2 m -117.37 121.33 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.3 m -141.02 171.23 14.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.533 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 p -119.92 124.3 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.818 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -127.96 123.01 33.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.74 87.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -145.06 150.99 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -48.99 -53.15 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.1 -150.89 18.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.16 135.16 4.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -130.08 108.88 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -92.36 99.25 12.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.0 140.77 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.24 -38.02 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -128.55 59.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -136.62 148.4 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -89.2 123.33 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.2 -45.35 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.3 -41.14 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 82.7 m-85 -102.57 141.31 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.13 138.61 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.707 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.32 127.63 44.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.97 178.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -72.99 127.67 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -40.12 -50.02 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -130.37 162.86 28.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -96.49 46.9 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -100.78 -49.96 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -48.03 145.59 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -135.71 127.68 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.1 t -64.04 150.38 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -98.14 -29.42 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.42 40.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 p -98.15 -9.57 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.8 mtt 56.37 48.04 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.85 142.91 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 152.08 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 64' ' ' HIS . 40.1 mt -103.14 112.97 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.75 151.48 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -77.9 132.05 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.3 -40.63 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -53.72 133.54 41.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.55 141.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.571 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 32.5 ptt180 -139.09 173.36 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD23 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mt -147.94 125.82 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.6 p -108.89 155.38 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 47.5 tttm -144.56 126.13 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -83.5 117.34 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.6 ptm -164.19 171.42 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.8 t -100.22 134.04 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -74.95 127.86 86.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.14 37.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.02 -47.1 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -123.57 82.89 53.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.58 16.5 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -65.77 -45.02 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.02 -47.94 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.81 -120.9 6.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -76.24 103.78 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -117.32 160.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -113.73 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -107.54 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.571 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 67.0 m95 -134.77 154.34 51.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 81.5 m-85 -157.95 126.15 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 34.9 m80 -53.98 153.14 9.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.97 -39.73 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.87 -35.22 65.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.438 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 31.1 m -76.89 -29.72 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -66.67 -39.28 88.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.492 HG13 HH21 ' A' ' 72' ' ' ARG . 98.2 t -70.35 -52.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -58.22 -47.57 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 67' ' ' CYS . 8.6 m-80 -92.88 22.32 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.492 HH21 HG13 ' A' ' 69' ' ' VAL . 5.7 ptp85 -63.13 -19.28 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -82.45 -67.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -41.59 -53.52 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 77.5 mt -56.77 -36.04 69.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.34 43.92 3.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.559 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' TYR . 49.2 t80 -80.14 94.88 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -53.04 148.18 14.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.61 8.73 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.1 -23.3 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' ' CZ ' ' A' ' 77' ' ' PHE . 20.1 m-85 -87.68 118.09 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -114.8 173.89 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.8 -37.18 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 27.5 p -55.32 -39.31 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -76.18 -35.62 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 83' ' ' ALA . 49.8 mt -50.69 112.52 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.71 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 81.54 -36.0 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.88 ' HA ' HD12 ' A' ' 92' ' ' LEU . 72.5 t80 -34.39 -54.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -42.89 97.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' GLY . 56.9 mt -61.19 -43.66 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 89' ' ' PHE . 19.0 mt -48.56 177.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.81 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -38.61 -50.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.8 -55.87 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.3 m-20 -61.94 -46.98 86.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -41.43 -62.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.02 -40.86 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.56 -54.93 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.49 -48.75 74.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -39.55 -48.39 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.04 -46.94 86.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.28 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.01 86.87 46.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.21 31.23 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.713 2.275 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 104.05 -111.7 3.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.95 138.73 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.37 140.4 30.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.8 t -112.1 -50.78 2.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.61 151.25 39.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 108.81 -55.69 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -155.4 143.78 20.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -69.39 157.87 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -124.35 39.36 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 124.57 162.41 11.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 107.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.86 130.69 43.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p -44.14 144.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -149.49 163.31 38.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 132.65 144.54 5.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.73 101.46 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.56 161.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -124.25 174.77 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.3 p -106.17 145.17 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 126' ' ' LYS . . . -165.62 150.78 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' ALA . 17.6 tptt -36.0 108.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -171.64 149.12 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -159.59 138.05 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.5 p -161.53 169.91 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 103.45 70.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.86 18.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.8 p -106.33 86.33 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.3 m -123.79 147.78 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.429 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -174.74 167.55 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.813 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -169.17 174.71 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.64 151.57 6.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -163.33 167.9 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -171.58 164.17 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.91 -174.98 27.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.55 -163.53 11.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 t -162.02 116.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 0.0 110.813 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -163.56 131.88 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.13 105.83 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -135.27 172.98 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.59 47.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m -137.75 146.55 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.6 mt -76.47 119.62 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.03 -39.0 13.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 56.9 m-85 -101.62 138.15 39.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.76 134.12 15.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.7 121.07 39.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.904 ' HA ' HD21 ' A' ' 92' ' ' LEU . 15.0 pt-20 -158.89 167.87 28.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.18 133.28 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -44.45 141.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -88.95 -46.58 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.9 p -133.83 160.43 37.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -93.29 39.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -104.78 -54.51 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -43.22 153.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.476 HG23 ' C ' ' A' ' 35' ' ' GLU . 24.2 m -144.76 125.1 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 t -61.05 155.86 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -102.47 -29.44 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -45.42 95.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -105.73 -19.11 13.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.5 mtm 63.85 53.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -136.63 137.19 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 138.28 26.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.2 mt -86.16 117.0 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.22 135.01 57.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -65.76 120.01 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.725 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.18 -41.84 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -56.4 134.92 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -47.16 147.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.559 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 21.1 ptt180 -156.0 162.83 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 HD13 ' A' ' 86' ' ' LEU . 3.8 mp -132.47 153.43 50.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 28.5 p -131.28 144.78 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -131.43 121.53 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -74.22 116.31 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.7 ptm -161.28 161.06 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 57' ' ' GLY . 93.4 t -97.99 139.26 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 40.7 t0 -81.76 124.45 79.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -26.99 26.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.9 -47.14 31.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -118.24 81.99 17.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -16.84 37.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -52.41 -45.34 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.19 -50.77 24.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . 86.58 -119.79 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.43 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -66.8 116.19 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 pt -132.55 171.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -119.03 117.12 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NH2' ' OD2' ' A' ' 50' ' ' ASP . 12.2 mmt180 -100.21 167.06 10.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 97.8 m95 -136.54 136.43 39.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -144.78 123.65 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 49.5 m80 -48.58 148.92 3.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.99 -38.66 31.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.23 -34.85 60.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 m -75.97 -38.11 57.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.04 -41.69 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.56 -48.77 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -58.42 -49.24 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.93 32.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -74.2 -46.09 44.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.6 pt-20 -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 41.4 tt0 -62.16 -50.11 73.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.79 -33.1 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.09 42.49 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 t80 -84.93 100.9 11.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 14.5 mmm180 -52.07 154.16 4.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.553 ' HB2' HG12 ' A' ' 107' ' ' VAL . 54.3 Cg_endo -69.73 -25.42 28.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -83.09 29.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 8.8 m-85 -118.29 133.55 55.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -131.83 168.41 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.97 -47.57 74.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 15.2 t -45.14 -38.35 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -72.6 -37.03 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 83' ' ' ALA . 78.6 mt -53.01 100.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -38.63 122.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 112.21 -38.71 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.3 t80 -35.22 -55.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -53.81 -41.76 67.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLY . 81.0 mt -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 21' ' ' GLU . 69.2 mt -52.07 171.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.42 149.07 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 m -54.55 -51.32 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.03 -61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -55.32 -46.86 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 3.2 mtpm? -51.03 -60.25 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -42.56 -42.33 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -54.62 -49.21 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 103' ' ' GLN . 38.3 mt -59.55 -55.64 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.3 mtmt -36.68 -48.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.31 -39.02 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' LEU . 63.1 mt-30 -66.96 -50.3 62.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.6 mt -115.98 75.6 5.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.57 21.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 108.91 -112.48 3.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 79' ' ' PRO . 29.5 m -93.16 116.64 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -87.82 43.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.7 t -54.26 -53.03 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.09 -43.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.78 -129.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -65.02 114.26 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.8 OUTLIER -122.33 149.1 44.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -51.26 131.27 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.62 -153.5 9.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -132.27 172.19 12.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.64 164.64 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.3 t -117.08 149.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.44 167.02 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 145.15 -178.43 22.93 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 p -94.08 150.46 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.68 174.4 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.85 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.5 m -42.23 160.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.3 175.12 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.27 109.6 2.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -136.78 -178.25 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -112.64 179.56 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -66.15 176.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -136.86 153.37 21.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.9 t -92.8 178.17 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.5 t -111.58 -62.73 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.454 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -140.78 173.6 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -114.44 174.55 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.7 115.9 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -157.48 143.68 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.83 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -174.98 159.02 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.73 139.66 5.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.12 -170.57 33.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -121.92 82.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -115.09 128.71 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.55 107.7 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -158.18 132.52 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.03 45.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -113.74 144.12 43.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 ' CD1' ' A' ' 81' ' ' TYR . 42.0 mt -72.28 110.64 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.52 -41.76 24.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.2 p-10 -65.59 -40.14 92.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 98.0 m-85 -102.37 140.12 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.66 150.51 29.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.5 127.65 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.15 171.89 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -74.33 144.35 44.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -62.93 133.58 54.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -79.11 -48.54 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.6 m -133.01 159.18 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -88.4 38.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -100.04 -50.97 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.7 t -46.74 153.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -143.51 126.61 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.6 t -61.64 155.54 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.37 -27.25 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.91 93.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' CD ' ' A' ' 35' ' ' GLU . 7.8 p -107.72 -17.04 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 23.2 mtm 62.57 54.38 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CD ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt-20 -136.0 139.07 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 146.43 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 81.7 mt -100.22 103.23 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -49.9 145.77 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.24 127.27 32.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 102.67 -40.03 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.12 125.74 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.9 t -41.18 148.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 34.8 ptt180 -153.94 161.95 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -130.91 153.15 49.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.3 p -124.55 145.47 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' HD2' HD22 ' A' ' 75' ' ' LEU . 25.0 tttm -132.26 115.24 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 32.6 tttm -78.89 113.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -160.6 167.87 26.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.02 138.63 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.65 129.57 54.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.35 -48.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -115.53 81.61 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -32.29 18.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.5 -47.61 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.09 -45.44 94.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -126.34 7.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmm -65.26 130.06 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -139.88 168.04 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.66 121.26 42.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -106.27 170.21 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.459 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 98.1 m95 -136.0 139.04 42.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -149.91 122.04 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 36.8 m80 -48.4 149.56 2.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -34.26 22.2 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.29 -33.83 52.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.08 -31.87 56.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD2' HD22 ' A' ' 44' ' ' LEU . 36.2 t80 -61.27 -37.27 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 103' ' ' GLN . 59.0 t -73.68 -41.72 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -66.2 -44.54 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -99.74 33.24 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 36.0 ptt85 -71.04 -41.47 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.0 pt-20 -76.33 -46.03 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.9 -49.34 77.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.502 HD22 ' HD2' ' A' ' 46' ' ' LYS . 30.6 mt -62.47 -36.01 81.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.86 41.27 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 72.1 t80 -90.49 92.77 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 1.7 mmp_? -41.68 146.73 0.56 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.68 36.34 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.55 -25.28 59.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 18.4 m-85 -80.97 131.99 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -128.59 164.98 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.689 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -48.25 -50.96 27.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 11.3 m -46.44 -36.51 6.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -77.18 -37.83 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 83' ' ' ALA . 39.5 mt -50.7 106.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -41.56 120.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.62 -36.35 3.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.578 ' HA ' HD12 ' A' ' 92' ' ' LEU . 76.9 t80 -39.54 -49.87 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -61.66 -38.04 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . 87.5 mt -64.71 -45.4 86.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 89' ' ' PHE . 25.5 mt -47.94 157.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.23 149.67 48.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 m -46.93 -42.26 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -61.3 -56.45 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 21.1 m-20 -56.5 -45.13 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.11 -48.97 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -42.4 -57.78 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.24 -55.38 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -39.94 -52.19 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -49.51 -46.99 49.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' HB3' HG21 ' A' ' 69' ' ' VAL . 86.7 mt-30 -69.16 -48.97 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.32 75.28 4.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -26.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.82 -175.24 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 107' ' ' VAL . 3.1 t -41.01 131.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 161.85 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 t -68.84 -48.2 64.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -64.11 92.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 161.45 167.51 22.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -136.48 136.96 39.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 21.7 ttp-105 -118.02 136.45 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 12.3 ptpt -85.1 -48.26 9.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 76.0 157.66 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.9 118.47 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.746 0.307 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.82 105.45 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.61 139.75 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -115.71 -36.16 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.15 124.12 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 122' ' ' ASP . 6.5 p -104.99 131.86 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.349 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 121' ' ' VAL . 6.3 t0 34.16 42.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.48 82.36 6.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 m -62.43 -38.88 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.15 105.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -174.86 128.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -100.84 -62.11 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 129' ' ' SER . 63.0 tttt -160.39 147.82 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 128' ' ' LYS . 5.6 m -77.38 82.94 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.01 -162.04 9.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -177.93 2.1 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.343 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 t -155.16 156.04 35.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -101.82 165.09 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.434 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 p -116.74 159.9 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -155.1 161.06 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 151.3 6.53 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -156.17 147.53 22.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -166.9 145.28 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.41 172.81 20.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.517 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.15 129.77 2.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -137.55 142.93 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -112.84 168.58 9.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.61 166.48 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -88.3 -38.39 15.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -128.85 86.07 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 87' ' ' LYS . 97.5 m -164.03 138.4 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 37.8 mt -81.82 116.79 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.47 -42.3 10.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.9 p-10 -54.4 -42.1 70.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 94.2 m-85 -102.68 134.55 45.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.26 132.03 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.01 130.38 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.781 ' HA ' HD21 ' A' ' 92' ' ' LEU . 9.7 pt-20 -174.87 172.57 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.45 151.15 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -72.98 158.41 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.15 -48.18 4.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.1 m -139.0 149.3 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 26' ' ' ASN . 21.3 t30 -78.36 55.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -116.86 -39.67 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -52.44 154.33 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 35' ' ' GLU . 91.8 m -138.37 127.6 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.9 t -68.0 120.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -73.6 -34.01 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.99 -55.18 25.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -115.13 28.24 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' CYS . 3.4 mmt 36.63 39.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 29' ' ' THR . 4.6 mm-40 -98.87 168.45 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.57 130.6 47.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 43.3 mt -87.92 117.16 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 36' ' ' LYS . 7.6 mm-40 -72.92 168.37 19.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -84.69 117.54 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.683 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.58 -48.9 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 38' ' ' GLU . 3.0 pt20 -52.43 137.55 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.42 141.56 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 14.2 ptt180 -155.96 143.7 19.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.3 mp -109.24 156.9 19.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -127.23 155.53 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -141.78 113.53 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -65.3 116.62 6.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 ptm -161.14 162.8 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.27 133.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.87 121.32 77.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.04 36.65 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.16 -36.78 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -123.89 82.36 55.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.33 37.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.72 -44.61 93.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.09 -47.83 82.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.53 -133.2 11.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.85 122.72 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 pt -134.15 172.71 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.45 124.41 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -105.67 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 97.2 m95 -136.79 147.06 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 10.5 m-85 -148.39 165.39 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -83.48 145.62 48.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.98 -37.01 28.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.8 -33.37 57.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.04 -28.07 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CD2' HD22 ' A' ' 44' ' ' LEU . 32.0 t80 -64.73 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.42 -53.48 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -54.73 -46.67 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -98.91 32.01 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -69.72 -50.86 39.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.86 -48.81 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.75 -56.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.92 -33.28 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.53 1.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 41.4 t80 -92.76 97.69 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 66.8 mtt180 -57.59 151.94 37.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -6.14 17.84 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 4.3 pt-20 -80.09 -21.82 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 11.4 m-85 -90.15 144.55 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.8 p -132.79 177.93 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.79 -40.84 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 84.8 p -51.38 -38.96 56.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -71.83 -37.32 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 83' ' ' ALA . 91.9 mt -50.62 110.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 7.8 mtpm? -47.28 133.28 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.598 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 96.64 -22.56 39.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 23.6 t80 -49.85 -59.31 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.8 m -53.42 -21.49 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.1 mt -82.94 -32.26 27.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 21' ' ' GLU . 78.7 mt -54.18 150.43 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.0 131.78 49.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 77.9 m -32.19 -58.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.88 -55.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' LYS . 22.0 t70 -63.95 -49.64 71.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.3 mtpt -35.21 -63.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -46.01 -62.37 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -37.42 -53.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.04 -39.49 92.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' GLU . 21.9 mtpp -60.64 -42.83 97.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 6.9 ptmt -73.5 -26.04 60.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 34.8 mt-30 -76.93 -49.47 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.95 75.86 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -126.28 5.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.436 HG23 ' H ' ' A' ' 107' ' ' VAL . 1.8 t -46.7 128.31 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.39 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -161.15 135.71 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.6 p -103.66 157.09 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -141.45 175.41 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.01 174.56 25.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -131.11 160.65 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 ttt85 -160.17 127.29 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -125.94 167.19 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.46 -51.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -44.38 133.74 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -101.28 177.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.0 t -148.22 138.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -103.27 162.77 12.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -96.71 164.05 22.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.3 p -148.39 146.14 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -172.39 174.24 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -124.55 163.75 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 p -91.01 -31.28 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 94.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.0 94.01 4.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -166.56 160.85 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.09 136.45 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -73.78 173.48 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -137.91 160.05 25.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 177.64 5.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.4 p -118.36 162.26 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 t -101.97 176.76 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.509 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -151.34 148.82 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -140.85 161.72 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.96 -175.1 38.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -164.69 132.85 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.845 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -53.16 155.66 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.27 -114.39 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.18 75.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -139.39 174.05 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -136.23 177.87 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.16 146.09 19.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.59 33.92 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 62.62 39.34 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -152.35 167.94 27.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.0 121.8 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.64 20.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.1 -40.64 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -104.58 141.2 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.02 139.78 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.06 130.65 52.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -169.98 162.37 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -67.56 123.35 20.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -38.66 135.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -77.81 -49.13 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.1 t -137.39 154.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.3 47.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 4.8 mmm180 -109.31 -52.95 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -38.57 157.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 35' ' ' GLU . 96.5 m -142.0 127.72 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.3 t -64.35 127.04 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -83.27 -27.55 29.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.0 96.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.2 p -126.06 29.95 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' CYS . 7.4 mtp 35.87 39.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 29' ' ' THR . 7.0 mm-40 -99.44 166.35 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.75 132.0 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 126.72 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.22 157.49 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.55 124.67 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.61 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.79 -34.67 5.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.442 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.42 130.89 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.78 125.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 28.2 ptt180 -129.36 149.53 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 68' ' ' PHE . 8.7 mt -125.74 124.55 41.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.52 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 64.2 p -108.39 139.7 42.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -121.59 120.82 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -69.88 109.34 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -165.81 158.26 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 57' ' ' GLY . 1.9 m -89.49 148.77 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.44 124.9 57.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -18.31 37.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -96.75 -52.06 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -114.2 80.44 5.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.43 14.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.25 -20.58 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -83.66 -43.9 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 92.22 -136.0 13.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.12 121.93 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 pt -142.15 151.08 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 134.1 40.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 13.8 mmt85 -129.55 166.71 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.536 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 99.9 m95 -133.77 152.13 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 55.1 m-85 -156.79 154.61 30.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -71.39 149.15 93.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 44' ' ' LEU . 64.8 Cg_exo -47.98 -38.83 32.13 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.75 2.3 . . . . 0.0 112.313 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.05 -36.46 46.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 m -74.28 -22.95 59.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CD2' HD13 ' A' ' 44' ' ' LEU . 34.2 t80 -70.17 -38.47 75.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.65 -47.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -56.58 -42.83 79.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -98.76 30.91 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.6 ptt85 -69.97 -46.19 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.92 -31.96 73.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.33 -44.87 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.55 -29.41 67.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.85 38.29 3.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 23.7 t80 -84.71 106.62 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.7 156.46 84.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -7.58 21.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 19.0 pt-20 -79.23 -13.0 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 10.1 m-85 -96.25 140.26 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -124.88 175.16 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.67 -22.25 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.9 t -79.41 -8.74 59.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -99.95 8.76 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -90.12 119.75 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -49.98 125.44 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -7.49 76.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 81.5 t80 -59.61 -55.19 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 m -52.22 -28.93 20.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.8 -42.77 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 mt -47.24 150.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.57 139.56 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.1 m -43.84 -38.43 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.46 -58.79 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 26.1 m-20 -53.03 -40.94 64.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 30.7 mttt -48.15 -59.08 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -45.96 -46.12 16.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -49.19 -45.58 44.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 103' ' ' GLN . 50.2 mt -70.87 -55.33 8.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -39.33 -37.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.48 -44.17 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 100' ' ' LEU . 68.1 mt-30 -64.2 -49.79 70.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.55 78.92 6.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.385 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.48 -107.4 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.3 m -88.59 125.31 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -32.32 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.9 m -108.52 -61.65 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -62.62 133.72 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -43.21 132.54 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -104.13 124.73 49.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 152.36 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -95.89 111.65 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.51 56.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -156.47 117.03 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -53.02 109.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.45 144.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -162.8 152.91 16.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.32 130.38 7.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 121' ' ' VAL . 11.8 p -139.68 123.49 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 122' ' ' ASP . 9.4 p-10 -42.76 101.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -91.4 84.19 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 125' ' ' ALA . 11.2 p -156.59 160.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.501 ' N ' HG22 ' A' ' 124' ' ' VAL . . . -82.14 113.94 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.1 -176.12 3.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.49 137.56 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -133.01 118.27 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -65.81 126.81 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.2 17.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.87 32.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.1 p -79.87 158.58 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.9 p -149.66 177.37 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.7 t 34.7 42.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -117.36 160.93 20.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.64 112.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -166.79 127.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -64.07 97.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.8 81.41 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.3 -171.2 13.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 100.0 p -50.33 153.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -136.62 109.8 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.573 ' HB1' ' HB ' ' A' ' 14' ' ' THR . . . -165.27 135.06 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -93.47 -38.02 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -128.49 41.95 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.816 HG21 ' HA ' ' A' ' 87' ' ' LYS . 54.8 m -150.68 133.54 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.19 139.38 57.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.33 -38.79 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.86 -49.46 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HG2' ' A' ' 46' ' ' LYS . 9.5 m-85 -102.95 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.61 155.57 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.74 161.39 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -65.87 129.45 39.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.62 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -54.68 137.25 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -85.96 -41.03 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -137.13 148.43 46.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.6 38.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 mmp_? -93.34 -52.41 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.4 t -46.48 150.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 m -142.07 127.6 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -61.37 155.71 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -101.98 -29.27 11.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.65 -50.6 60.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.9 -16.26 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.2 mtm 62.36 42.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.26 137.42 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 149.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 28' ' ' SER . 93.9 mt -101.09 106.1 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -48.82 149.63 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -79.37 125.24 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.62 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.08 -38.09 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -55.82 136.45 51.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -52.82 132.05 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.56 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 22.3 ptt180 -131.44 170.1 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 86' ' ' LEU . 6.0 mt -144.97 129.92 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 79.3 p -105.32 155.24 19.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 6.0 tmtm? -138.05 140.51 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 31.5 ttpt -108.36 108.62 19.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -152.0 159.82 43.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -88.67 138.68 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.85 128.59 55.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.82 35.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -81.69 -51.89 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -114.9 75.23 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.526 0.679 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.7 36.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.95 -21.53 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.96 -46.13 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.93 -115.71 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -77.68 126.63 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 pt -134.59 157.85 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.38 132.33 53.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.22 175.49 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 93.4 m95 -139.01 146.46 40.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -155.13 127.27 7.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 46.0 m80 -55.87 153.95 15.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -35.62 25.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.63 -32.36 54.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 m -79.12 -32.81 44.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -58.66 -42.23 87.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.6 -34.02 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -60.95 -59.91 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -96.77 31.86 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -55.42 -43.67 75.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.65 -54.71 6.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -50.22 -47.76 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.61 42.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 11.8 t80 -102.16 91.45 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 2.9 mmp_? -50.51 155.6 1.79 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -4.61 14.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 4.56 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 78' ' ' ARG . 2.4 m-85 -92.99 148.3 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.3 m -133.23 167.2 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -71.42 -38.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 60.7 p -59.65 -11.91 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -98.06 19.01 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 44' ' ' LEU . 32.8 mt -102.0 117.89 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.816 ' HA ' HG21 ' A' ' 14' ' ' THR . 15.1 ttmm -43.28 107.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.51 -38.76 2.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 17.8 t80 -35.8 -54.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.9 t -55.18 -41.96 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.7 mt -60.37 -42.99 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.94 171.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -88.18 139.24 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 30.9 m -34.94 -56.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -43.19 -54.03 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.43 -49.57 70.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -39.24 -57.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.57 -52.65 59.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.14 -36.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.1 mt -81.04 -42.64 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -58.08 -42.78 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -62.14 -23.44 66.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -89.05 -45.41 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 83' ' ' ALA . 10.3 mt -113.24 75.8 2.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 4.91 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.07 -108.42 3.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.52 142.6 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.36 160.13 26.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 p -57.03 122.92 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 2.2 pp20? -60.1 130.47 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.63 -66.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -96.69 134.69 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.312 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -68.6 117.26 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 116' ' ' ASP . 16.2 tptt -91.18 134.6 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LYS . . . -33.87 95.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 114' ' ' LYS . 6.7 p-10 -47.78 144.68 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -101.86 92.38 4.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.4 141.25 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.11 136.48 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.12 73.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.32 164.1 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.9 116.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.38 114.89 12.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.8 t -91.07 -59.2 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LYS . . . -129.48 81.78 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' ALA . 13.0 ttpp -35.11 135.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -123.02 166.55 14.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.08 123.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.5 p -91.7 167.83 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.8 148.75 24.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.625 2.217 . . . . 0.0 112.373 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -126.81 174.55 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 79.0 p -167.31 176.45 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -133.43 159.23 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -161.6 160.04 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.78 -123.67 7.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p 39.4 42.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -109.93 113.58 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.54 -138.55 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.13 85.96 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -87.36 94.85 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.425 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 109.87 15.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.28 153.17 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -129.7 -39.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -121.91 43.89 2.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -158.58 146.96 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.88 121.23 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.92 -35.4 35.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.91 -40.22 79.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 83.3 m-85 -101.55 119.79 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.59 149.06 52.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.86 119.89 26.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -162.09 164.57 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -75.74 127.68 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.789 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -56.97 130.17 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 25' ' ' SER . 10.5 ptpp? -75.65 -43.21 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.3 p -135.58 163.3 30.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.89 40.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -102.04 39.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -138.34 144.95 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 35' ' ' GLU . 97.8 m -138.71 128.25 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.12 121.31 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 25.3 mmtt -79.19 -22.09 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.61 -49.74 62.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -118.96 25.06 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtt 40.97 40.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 29' ' ' THR . 2.4 mm-40 -101.76 168.62 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 128.73 50.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -86.31 124.66 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.54 160.39 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -75.72 137.35 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.1 5.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -65.45 128.02 34.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -44.44 140.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 30.4 ptt180 -145.54 147.32 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.716 HD21 HD13 ' A' ' 86' ' ' LEU . 9.3 mt -119.08 115.89 25.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.5 p -96.45 158.43 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 11.0 ttpt -144.14 112.12 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' HE2' ' A' ' 58' ' ' MET . 16.8 ttmt -64.95 114.22 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptm -154.95 169.62 23.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.4 t -96.13 135.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.41 126.81 77.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -24.62 29.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.12 -45.31 41.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -123.91 87.97 52.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.92 21.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 15.8 pt20 -47.53 -46.42 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 34.6 mt -61.47 -50.77 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.34 -125.6 7.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 46.6 mmm -66.91 132.25 47.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.63 177.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -124.89 126.43 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -120.78 174.98 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 67.3 m95 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 44.9 m-85 -154.41 165.66 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -82.21 143.56 48.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 64.7 Cg_exo -48.02 -37.37 29.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.74 -34.89 52.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 m -78.63 -26.96 45.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CD2' HD13 ' A' ' 44' ' ' LEU . 91.5 t80 -69.76 -33.56 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 103' ' ' GLN . 52.0 t -80.61 -44.19 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.48 -44.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.19 32.79 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -70.5 -32.82 70.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.11 -46.1 71.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.58 -31.4 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.56 43.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 2.5 t80 -96.1 100.08 11.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -63.57 158.3 60.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.8 3.93 2.51 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.628 2.219 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 1.7 tt0 -93.96 -26.45 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 2.7 m-85 -82.97 121.17 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 p -122.59 176.3 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -58.67 -30.75 67.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -76.19 -20.59 57.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.39 -35.86 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 44' ' ' LEU . 93.7 mt -51.04 137.28 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -64.87 161.76 17.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.19 32.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 11.5 t80 -86.32 -46.1 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 -32.2 72.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.0 mt -46.55 154.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -66.14 139.33 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' ALA . 97.9 m -37.59 -55.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.5 -42.29 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -69.31 -31.98 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -64.15 -41.15 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.0 -48.1 77.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.08 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.81 -40.47 12.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.88 -41.91 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -51.96 -41.85 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.717 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.9 mm-40 -80.24 -32.31 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 83' ' ' ALA . 6.5 mt -114.32 94.02 33.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.39 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 93.05 47.51 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 m -35.27 152.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.383 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -127.48 -50.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.405 ' N ' ' HB2' ' A' ' 79' ' ' PRO . 15.2 m -141.12 173.31 11.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.96 142.62 30.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 -87.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 52.48 43.43 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.09 156.89 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -72.77 -56.52 5.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.77 152.01 38.32 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -148.52 158.85 44.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -134.4 114.84 13.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.28 138.01 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -100.19 81.34 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.05 122.21 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.72 91.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 111.069 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.39 119.36 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.63 170.04 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 m -62.53 -39.33 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.29 142.23 31.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -135.72 146.86 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -76.69 163.64 26.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 43.9 t -79.8 -48.89 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.6 86.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.54 18.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.29 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' SER . 93.6 p -172.17 173.63 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' SER . 29.0 t -37.58 -47.36 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.539 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -158.37 141.51 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.905 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -132.19 150.1 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.22 -176.34 26.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -151.67 135.54 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -120.55 146.94 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.5 -48.37 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.45 130.29 6.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -126.76 97.76 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.31 133.83 50.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.3 45.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.59 143.33 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -86.34 81.91 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' GLN . 26.6 m -139.3 142.28 37.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' TYR . 40.1 mt -75.92 91.18 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.54 -43.71 28.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 18' ' ' PHE . 3.2 p30 -54.78 -39.58 68.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.445 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 35.3 m-85 -101.63 124.39 47.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.1 135.38 45.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.546 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -124.0 136.17 54.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.98 174.97 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -78.57 123.49 27.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.11 121.97 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -72.98 -44.51 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -137.7 149.53 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -82.28 41.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -96.31 -57.59 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -45.17 140.67 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' C ' ' A' ' 35' ' ' GLU . 19.1 m -127.75 131.26 49.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.7 t -66.06 153.11 43.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -26.71 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.4 91.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.9 p -107.01 -15.3 14.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 73.8 mtm 59.96 52.51 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -138.38 137.02 36.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 145.17 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 94.8 mt -93.05 134.23 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.7 139.68 45.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -71.76 132.19 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.3 -38.26 3.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.43 144.87 50.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.11 140.53 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 29.3 ptt180 -138.52 167.69 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 20' ' ' ALA . 5.8 mt -145.76 113.37 6.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 38.3 p -98.0 151.27 20.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HD3' HD22 ' A' ' 75' ' ' LEU . 34.8 tttp -125.97 135.86 52.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -102.74 111.01 23.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 4.7 ptm -155.22 169.15 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' GLY . 78.6 t -99.58 149.63 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -96.91 123.56 53.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.22 37.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.54 -45.19 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -124.67 82.56 59.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.88 29.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 9.0 pt20 -61.95 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 38.9 mt -62.71 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' VAL . . . 94.9 -110.17 3.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -97.03 118.7 34.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 0.0 110.858 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' CD ' ' A' ' 61' ' ' ARG . 17.0 pt -111.91 170.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 112.6 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -103.01 -179.18 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 62.7 m95 -138.8 148.07 43.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 17.6 m-85 -151.69 132.44 14.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 18.3 m80 -59.04 152.05 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . 65.1 Cg_exo -48.01 -40.26 33.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -37.64 93.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 m -73.13 -40.31 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -56.35 -42.62 78.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' PRO . 98.9 t -64.94 -36.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.82 -47.1 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -99.5 32.66 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -71.67 -45.26 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 110' ' ' GLU . 77.9 mt-10 -68.38 -46.39 70.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.67 -45.92 90.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 ' HD3' ' A' ' 46' ' ' LYS . 15.6 mt -59.66 -35.96 75.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.28 46.98 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.37 92.96 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 81.8 mmt-85 -50.86 154.16 2.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.05 3.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -101.82 -26.39 13.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 13.3 m-85 -77.96 122.79 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -129.01 171.99 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -46.91 -39.13 11.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -60.03 -33.04 71.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 mm-40 -71.48 -32.95 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 83' ' ' ALA . 75.4 mt -54.6 138.4 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 2.2 tmmm? -73.87 113.68 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.97 33.3 5.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 79.8 t80 -84.47 -51.16 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -53.56 -31.58 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.8 -38.17 79.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 100' ' ' LEU . 89.7 mt -45.21 149.47 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -62.64 127.08 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' ALA . 27.0 m -33.42 -51.9 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.3 -48.29 74.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.2 m-20 -64.89 -50.09 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.4 mtpt -37.37 -65.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -47.3 -46.96 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -47.74 -52.17 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 92' ' ' LEU . 35.4 mt -62.17 -60.78 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 100' ' ' LEU . 33.3 mtpt -34.1 -49.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -50.31 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.46 -49.46 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.19 77.84 1.26 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.42 37.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.47 -90.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.3 m -59.86 169.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.54 41.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.3 p -132.74 145.77 51.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.433 ' HB3' ' CG ' ' A' ' 73' ' ' GLU . 9.4 tp10 -50.89 102.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.2 72.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -175.01 137.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -95.16 42.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt 40.18 43.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.56 154.61 50.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -151.25 124.45 8.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.785 0.326 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -127.21 91.23 3.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -50.52 147.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.32 134.35 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.4 -141.81 4.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.96 150.11 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -104.26 166.81 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 22.2 mt-10 -155.58 150.4 26.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 124' ' ' VAL . 47.0 t 34.96 53.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.57 119.24 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -155.15 173.16 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -130.45 125.53 34.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -130.38 94.93 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.8 m -137.18 164.42 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.59 138.0 13.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 140.11 41.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -129.57 105.54 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 81.6 p -92.02 124.13 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.488 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -122.92 147.52 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 81' ' ' TYR . 62.1 mt -85.29 124.1 31.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -76.06 -60.95 2.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.508 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -38.26 -39.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 73.7 m-85 -101.49 120.63 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 142.87 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.76 138.25 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -168.96 166.04 11.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -65.62 137.72 57.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 92.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -44.61 -48.48 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.9 p -136.44 162.65 32.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -95.3 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -92.7 -53.56 4.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -59.42 158.28 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -140.53 131.47 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.7 t -62.93 152.38 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -105.34 -20.65 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.3 -30.99 64.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.6 p -122.07 -9.39 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.8 mtp 57.85 45.67 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -131.82 137.7 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 153.89 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.7 mt -103.72 102.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.57 137.47 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -59.31 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.8 -45.11 2.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -55.96 126.93 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.33 145.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -149.92 158.22 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 86' ' ' LEU . 2.5 mp -129.54 162.27 28.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 83.2 p -135.35 154.63 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 75' ' ' LEU . 29.3 tttt -137.43 119.38 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 1.1 ttmp? -67.46 116.6 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 ptm -162.48 165.59 25.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 ' C ' ' A' ' 57' ' ' GLY . 49.3 t -99.48 131.29 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.84 126.74 89.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.14 26.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -84.01 -22.89 31.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -133.48 75.97 68.4 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.534 0.683 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.81 37.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 13.8 pt20 -63.61 -41.28 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 14.0 mt -65.08 -48.02 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.583 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 85.23 -131.57 10.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.44 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -64.26 103.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 pt -119.97 175.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -128.31 113.81 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -95.52 173.9 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.412 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 61.0 m95 -136.53 141.26 43.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 12.8 m-85 -147.7 133.91 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 30.0 m80 -53.32 147.68 18.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.97 -35.45 25.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.92 -31.34 62.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -78.8 -33.72 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -59.88 -37.72 80.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 103' ' ' GLN . 58.3 t -70.9 -56.22 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -53.95 -45.08 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -99.08 33.63 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.25 -29.2 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -87.13 -50.26 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.69 -45.32 73.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 46' ' ' LYS . 38.6 mt -64.23 -32.22 73.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.53 1.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.546 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.44 107.88 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -76.31 159.15 80.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -18.53 36.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.298 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.7 pt-20 -64.89 -17.42 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 8.7 m-85 -109.94 129.2 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.0 t -109.2 -175.03 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.09 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.537 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 8.6 t -62.88 -8.5 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -100.72 12.22 37.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 44' ' ' LEU . 74.8 mt -92.57 115.7 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -44.61 110.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . 118.05 -37.49 3.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 92' ' ' LEU . 90.3 t80 -35.81 -59.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.7 t -48.1 -43.08 30.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' GLY . 82.5 mt -64.64 -43.21 94.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 89' ' ' PHE . 53.3 mt -47.46 167.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.62 140.79 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.2 m -39.51 -55.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -43.52 -56.58 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.6 m-20 -62.9 -44.26 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 31.4 mttp -46.69 -64.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.11 -36.4 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -56.68 -35.75 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.5 mt -81.22 -38.09 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.43 -41.69 98.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -64.37 -24.83 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.454 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.6 mt-30 -87.73 -47.05 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.0 85.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.53 3.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -109.4 141.75 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' A' ' 81' ' ' TYR . 16.0 mt -68.12 134.54 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.52 -49.39 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.89 -41.05 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -102.72 132.55 48.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.35 129.12 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 125.32 53.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.41 163.12 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -68.57 147.8 51.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.66 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -64.69 143.95 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -98.61 -41.57 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -134.56 149.23 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.58 42.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -108.99 -59.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -37.91 144.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 m -134.87 137.99 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.0 t -71.1 155.38 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -103.34 -27.81 12.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.3 -46.34 90.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 p -105.58 -22.97 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.1 mmm 70.37 47.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 64' ' ' HIS . 5.6 pt-20 -131.47 139.44 49.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 153.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 64' ' ' HIS . 98.3 mt -108.06 113.13 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.96 144.98 26.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -73.05 129.96 39.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.66 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.45 -34.13 5.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -59.03 137.03 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.642 HG21 ' OD2' ' A' ' 96' ' ' ASP . 79.6 t -55.1 139.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -149.35 161.12 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.489 HD23 HD13 ' A' ' 86' ' ' LEU . 3.1 mp -128.93 159.97 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.481 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 89.4 p -138.27 143.16 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -123.74 127.69 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -94.35 113.73 25.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.73 170.1 18.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.3 131.3 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -72.33 127.2 90.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.92 29.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.284 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.25 -46.71 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -119.32 80.29 20.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.45 30.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.38 -42.21 99.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -133.47 11.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.1 mmm -67.59 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.551 HD12 ' HD3' ' A' ' 61' ' ' ARG . 43.6 pt -140.25 163.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.28 110.87 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -105.51 176.84 5.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 80.8 m95 -136.43 146.4 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 38.7 m-85 -148.85 139.0 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 28.6 m80 -60.41 148.86 79.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -35.52 25.3 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.378 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.5 -29.69 65.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -79.29 -29.11 42.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -66.85 -37.62 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 104' ' ' LEU . 58.0 t -74.54 -56.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -52.1 -44.67 64.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -101.42 30.6 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -65.23 -32.38 74.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.11 -57.28 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.08 -46.71 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.18 -30.86 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.93 37.6 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -94.08 96.1 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.9 mmp_? -54.14 150.32 15.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.564 0.697 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 13.1 pt-20 -75.36 -22.22 57.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 12.4 m-85 -94.13 144.32 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 p -127.76 171.16 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -59.25 -25.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.5 p -81.76 8.13 10.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -117.17 13.91 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 44' ' ' LEU . 41.6 mt -96.27 129.41 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -55.91 105.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.28 -26.22 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 40.2 t80 -47.81 -54.06 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 t -52.86 -36.96 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.48 -37.95 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' PHE . 95.3 mt -48.06 165.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.23 130.42 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.9 m -32.64 -52.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -45.99 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -60.44 -54.47 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 89' ' ' PHE . 15.3 mtpt -34.99 -59.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.62 -42.37 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -44.98 -52.87 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 63.0 mt -63.26 -60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' LEU . 14.7 mtpp -35.09 -44.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -48.92 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 99' ' ' ALA . 2.2 mp0 -69.78 -44.92 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' A' ' 69' ' ' VAL . 14.4 mt -107.42 81.56 1.08 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.571 0.701 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.845 0.355 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.0 m -154.29 129.42 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.11 134.78 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.09 -50.12 4.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.87 -42.82 18.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.07 147.96 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -160.92 137.41 8.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -114.51 132.38 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -174.02 162.96 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -61.34 154.24 24.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -66.41 130.38 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -69.88 -51.56 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -138.85 158.07 44.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -82.99 48.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' SER . 3.0 mmp_? -114.35 -52.51 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 37' ' ' ILE . 7.2 m -38.37 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 35' ' ' GLU . 99.4 m -140.51 129.01 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.49 117.47 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -77.68 -18.69 56.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.28 -52.85 36.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.3 p -115.87 20.36 14.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.7 mtm 48.88 38.26 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 29' ' ' THR . 9.0 mm-40 -102.28 173.21 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.4 128.36 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 28' ' ' SER . 70.7 mt -84.18 120.41 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.506 ' CG ' ' HG3' ' A' ' 41' ' ' GLN . 11.2 pt-20 -89.09 152.31 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 65.5 tttt -67.42 134.28 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.85 -40.21 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HG3' ' CG ' ' A' ' 38' ' ' GLU . 35.2 mm-40 -67.82 123.12 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.88 138.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.487 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 23.3 ptt180 -150.98 152.86 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -116.91 155.29 29.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -120.04 136.38 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CE ' ' HB3' ' A' ' 75' ' ' LEU . 24.0 tttt -123.22 111.21 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -78.3 115.78 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.0 ptm -162.51 161.36 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.2 t -96.86 132.2 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.43 132.92 60.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.95 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.4 -50.88 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -114.37 75.04 3.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.54 0.686 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.05 37.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.76 -40.49 92.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.86 -42.56 90.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.08 -134.08 12.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.1 124.98 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.79 169.08 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.36 110.97 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -110.9 167.37 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.637 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 44.8 m95 -128.01 153.86 46.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 4.0 m-85 -150.18 171.83 16.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -85.33 144.66 41.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.26 33.05 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.5 -36.34 62.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.2 m -74.58 -32.98 62.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CD2' HD22 ' A' ' 44' ' ' LEU . 41.5 t80 -58.0 -38.39 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 104' ' ' LEU . 43.3 t -75.91 -55.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.78 -42.64 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.1 m-20 -101.19 34.93 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 28.8 ptt-85 -70.95 -54.22 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.4 mt-10 -58.98 -63.22 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 75' ' ' LEU . 3.0 pt-20 -39.65 -45.27 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 71' ' ' ASN . 27.6 mt -72.95 -35.84 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.44 40.84 1.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 43.9 t80 -91.22 92.75 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 44.4 mtt85 -50.43 152.48 3.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.77 35.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 6.8 pt-20 -64.94 -22.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 5.9 m-85 -84.54 133.38 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 p -129.22 166.68 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -54.47 -39.19 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.1 t -58.73 -38.08 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 14' ' ' THR . 14.1 mt-30 -66.15 -34.89 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.8 mt -51.09 130.48 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.558 ' HA ' HG21 ' A' ' 14' ' ' THR . 31.6 tttp -67.34 121.46 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.77 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 26.4 t80 -83.05 -51.29 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -53.71 -36.01 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.1 149.72 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.6 139.91 55.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.6 m -44.14 -42.29 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.2 -58.56 2.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 2.9 p30 -66.59 -47.05 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.532 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 17.7 mttm -37.85 -68.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . 32.5 mt-10 -46.44 -38.77 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -63.65 -44.68 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLN . 52.5 mt -70.21 -55.7 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 98' ' ' GLU . 7.7 mtmp? -38.2 -47.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.38 -38.4 74.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 7.6 mm-40 -61.83 -51.27 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 69' ' ' VAL . 10.9 mt -112.08 76.88 1.91 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.98 36.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.889 0.376 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 87' ' ' LYS . 47.0 m -150.11 138.32 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 81' ' ' TYR . 40.8 mt -74.78 97.84 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.18 -48.28 47.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -49.15 -34.17 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 93.7 m-85 -106.67 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.9 148.59 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -134.36 127.08 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -168.9 177.21 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.15 135.63 36.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -62.25 151.23 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -92.53 -49.79 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -133.54 156.17 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -81.53 45.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -100.58 -54.45 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 37' ' ' ILE . 66.5 m -50.82 132.31 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 35' ' ' GLU . 67.1 m -122.89 143.33 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 46.3 t -76.46 151.79 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.53 -26.63 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.07 -51.29 40.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -98.86 -15.55 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp 61.28 47.3 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 4.7 pt-20 -132.49 138.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 144.57 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 28' ' ' SER . 35.7 mt -92.83 125.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.25 141.13 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -66.37 140.38 58.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.43 -41.11 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.71 136.92 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.68 137.6 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 31.6 ptt180 -137.72 171.58 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -144.64 128.34 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.2 p -106.98 126.09 51.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 ttpp -114.78 118.19 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -65.71 104.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ptm -164.18 159.88 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' C ' ' A' ' 57' ' ' GLY . 2.8 m -89.36 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.61 126.31 47.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.3 34.5 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.783 2.322 . . . . 0.0 112.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -103.46 -42.22 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -122.34 84.5 46.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.79 7.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.377 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -61.52 -53.14 60.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.8 -36.57 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.586 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 82.57 -133.36 11.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -64.16 120.29 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' CZ ' ' A' ' 61' ' ' ARG . 6.4 pt -145.3 150.64 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.16 110.37 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' CZ ' HD12 ' A' ' 59' ' ' ILE . 18.2 mmt-85 -101.78 173.62 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 99.1 m95 -138.83 150.71 46.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.87 125.57 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 43.2 m80 -55.76 151.18 23.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.91 -41.39 32.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.68 -35.61 74.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -74.99 -31.27 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.06 -43.94 97.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.516 HG21 ' HB3' ' A' ' 103' ' ' GLN . 60.4 t -64.01 -45.59 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -64.03 -59.42 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -87.89 31.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.8 ptm180 -67.29 -41.15 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 17.0 mm-40 -65.37 -67.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -41.68 -49.3 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.24 -33.98 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.61 42.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 5.4 t80 -88.43 99.43 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -49.41 156.19 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -26.35 27.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.77 28.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 15' ' ' LEU . 4.3 m-30 -109.4 136.98 47.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -132.63 172.06 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.9 p -60.3 -13.69 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.32 15.17 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 20' ' ' ALA . 62.0 mt -98.75 137.5 37.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HA ' HG21 ' A' ' 14' ' ' THR . 13.1 mtpp -64.0 113.5 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.97 31.61 9.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 t80 -79.64 -38.37 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 t -65.45 -33.49 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.07 -45.64 91.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.2 mt -44.47 166.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.68 137.54 35.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ALA . 55.2 m -36.72 -47.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.15 -55.05 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -49.41 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.87 -51.78 54.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.95 -48.11 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -48.54 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -50.08 -50.85 46.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -55.38 -49.97 70.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' VAL . 33.7 mm-40 -59.58 -46.65 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.75 76.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.392 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -102.7 155.46 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.82 119.49 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 -47.26 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -52.82 -42.07 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 98.3 m-85 -103.42 130.6 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.0 140.72 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -126.24 126.92 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HA ' HD21 ' A' ' 92' ' ' LEU . 13.5 pt-20 -168.67 169.35 10.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -65.35 154.27 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.5 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -87.75 -49.25 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -138.79 151.76 47.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 3.3 p30 -82.53 40.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -92.2 -58.56 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 t -50.9 158.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 m -140.24 132.04 27.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.5 t -64.82 152.64 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -101.02 -26.47 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.65 88.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.63 -4.65 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.3 mtm 52.91 43.98 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -127.31 142.0 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 151.59 8.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 64' ' ' HIS . 66.9 mt -99.45 123.76 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.04 128.19 35.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -59.79 141.22 55.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.81 -33.08 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -66.83 140.89 57.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.01 145.24 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -152.44 164.97 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.5 mp -130.82 157.63 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.2 p -125.87 146.46 49.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD3' HD22 ' A' ' 75' ' ' LEU . 16.2 tttt -137.92 114.83 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 12.0 ttmt -79.03 123.64 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.8 ptm -164.17 156.98 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.6 t -84.73 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.09 122.75 88.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -26.54 27.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -81.97 -41.8 20.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -118.66 82.21 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.21 35.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.29 -43.72 90.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -58.66 -54.23 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -131.94 10.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.479 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -68.76 121.68 17.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 pt -134.75 166.61 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.95 122.15 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -108.91 168.4 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.61 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 86.5 m95 -133.24 152.48 51.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 31.4 m-85 -157.33 129.99 7.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 32.4 m80 -52.1 148.36 11.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.603 0.716 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.99 -32.2 17.59 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.94 56.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 m -79.95 -33.65 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' HD22 ' A' ' 44' ' ' LEU . 30.8 t80 -58.68 -33.43 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.39 -51.3 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -56.05 -45.35 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -98.15 25.32 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -60.98 -46.15 91.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -74.7 -48.04 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.54 -45.45 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HD3' ' A' ' 46' ' ' LYS . 59.2 mt -67.93 -35.98 79.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.446 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 12.2 t80 -89.31 102.68 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 39.6 mmt180 -61.84 153.01 74.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -11.34 30.68 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.662 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 5.0 pt-20 -78.51 -15.97 58.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CE1' ' CG ' ' A' ' 80' ' ' GLU . 2.0 m-85 -92.92 130.56 38.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.4 p -125.52 173.84 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.54 -36.17 83.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.548 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.3 m -53.44 -36.63 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -74.62 -34.95 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 20' ' ' ALA . 95.4 mt -52.05 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -45.46 115.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 119.93 -35.08 3.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.4 t80 -41.23 -60.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.0 t -51.41 -27.17 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HA2' ' A' ' 88' ' ' GLY . 54.0 mt -82.37 -39.47 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 21' ' ' GLU . 71.7 mt -49.39 148.3 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.7 132.93 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 8.6 m -33.67 -66.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' THR . 12.4 pt-20 -37.62 -46.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.5 m-20 -71.64 -51.07 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -38.88 -57.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.03 -49.32 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -44.39 -46.4 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.66 -47.9 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -44.32 -49.61 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -55.68 -53.28 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -57.13 -50.3 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.61 81.87 3.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.18 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.807 0.337 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.1 m -148.17 144.75 27.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -74.39 114.39 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.73 -36.51 47.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.19 -42.08 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 29.4 m-85 -101.91 126.57 48.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.58 139.49 46.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.28 123.34 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -164.29 168.53 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -66.2 125.87 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -49.68 110.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.8 -50.62 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -132.07 150.24 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -84.06 39.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -96.86 -55.9 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -42.86 132.28 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.8 m -119.86 127.06 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.1 t -60.99 155.49 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -102.38 -26.1 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -50.6 43.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 p -100.58 -20.68 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.6 mtm 65.33 50.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.47 138.04 47.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 140.74 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.401 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.4 mt -91.09 139.18 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.23 153.25 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -83.03 113.56 20.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.3 -39.98 2.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.44 130.42 46.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.6 t -42.71 138.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.547 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 37.6 ptt180 -139.63 172.1 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.2 mt -146.99 136.5 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 63.2 p -116.85 140.79 49.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -117.85 144.08 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 21.4 tttm -119.27 102.34 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -155.12 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.76 129.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -83.16 128.61 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.89 29.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -87.64 -42.04 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -128.07 83.88 64.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.34 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.61 -30.69 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.37 -44.13 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.64 -122.76 6.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.3 113.9 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 ' HD3' ' A' ' 61' ' ' ARG . 29.4 pt -124.36 164.58 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -131.04 111.35 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.662 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -110.58 -178.93 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.547 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 62.2 m95 -138.36 137.0 36.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.3 m-85 -141.76 126.44 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -50.08 154.93 1.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 -38.54 31.56 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.24 -40.46 70.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.2 m -71.79 -40.05 69.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -49.36 -42.97 43.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.09 -48.67 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -55.49 -46.99 76.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -100.52 32.49 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 13.8 ptt180 -67.98 -30.05 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 13.2 pt-20 -87.72 -50.1 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.9 -43.01 69.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.9 mt -67.38 -31.97 72.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.75 42.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -91.72 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -74.19 157.02 87.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.1 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 12.3 pt-20 -72.07 -22.78 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 12.6 m-85 -86.58 138.99 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.9 p -130.7 171.6 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.31 -33.45 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -66.12 -32.24 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.62 ' O ' HG23 ' A' ' 14' ' ' THR . 9.7 mt-30 -72.02 -31.27 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 83' ' ' ALA . 40.4 mt -51.11 129.97 25.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 14' ' ' THR . 17.1 ttpp -63.4 108.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.93 33.23 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 37.7 t80 -81.99 -48.54 11.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -59.39 -33.66 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.73 -36.35 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.506 HD13 HD12 ' A' ' 100' ' ' LEU . 78.6 mt -49.69 172.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLU . . . -91.26 131.76 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ALA . 89.0 m -34.05 -33.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.6 tt0 -76.67 -48.19 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -63.53 -41.78 98.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -45.49 -58.68 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.83 -46.23 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.25 -41.05 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 92' ' ' LEU . 93.4 mt -78.13 -33.04 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -66.36 -40.54 89.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -67.03 -25.56 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.06 -44.39 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.65 88.5 7.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.82 31.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.397 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 tttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.836 0.351 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.682 HG21 ' HG2' ' A' ' 87' ' ' LYS . 54.6 m -151.27 144.02 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.14 96.04 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -53.49 -56.13 21.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -34.16 -44.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.0 148.34 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.97 140.47 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.91 135.04 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.01 167.02 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -70.61 125.97 28.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.88 136.71 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -82.08 -53.31 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 151.96 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -81.09 49.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' SER . 54.6 mtm180 -103.69 -65.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ARG . 72.7 m -35.98 144.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -132.63 127.75 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -62.2 153.74 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -100.32 -33.45 10.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.48 -55.78 28.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.3 p -97.35 -6.11 34.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.4 mtt 52.62 51.3 16.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.6 146.17 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 159.16 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 64' ' ' HIS . 72.8 mt -108.74 127.32 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -65.44 140.87 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -70.52 113.89 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.84 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.71 -44.26 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.31 129.77 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -43.34 132.71 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 38.2 ptt180 -131.88 175.83 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.35 139.04 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 59.7 p -121.5 152.56 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 75' ' ' LEU . 7.9 ttmm -138.9 110.62 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.25 117.26 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 48' ' ' MET . 4.8 ppp? -163.59 159.45 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.69 138.81 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.88 122.57 78.12 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -19.04 36.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -86.36 -39.33 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -122.63 77.37 47.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.87 -43.1 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.41 -54.86 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.79 -116.56 5.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.2 OUTLIER -79.46 113.71 17.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.5 pt -127.94 158.74 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.07 128.09 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -114.03 173.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 86.2 m95 -138.28 146.56 42.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 95.9 m-85 -154.39 125.71 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 35.4 m80 -52.93 151.5 8.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.812 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.06 -41.65 33.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.45 92.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.4 m -70.81 -38.45 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.95 -44.9 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.72 -54.21 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -47.01 -53.28 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -99.37 33.14 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -60.2 -44.69 94.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.98 -46.24 30.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.04 -47.12 84.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 46' ' ' LYS . 14.0 mt -60.37 -33.92 73.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.91 43.52 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' TYR . 6.2 t80 -100.88 95.28 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -41.06 154.52 0.22 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' GLY . 53.7 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.3 21.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 4.8 m-30 -107.0 137.05 45.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -131.36 171.26 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.75 -32.42 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.1 m -52.62 -42.24 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' THR . 87.2 mt-30 -64.72 -36.7 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.4 mt -52.47 126.98 21.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HG2' HG21 ' A' ' 14' ' ' THR . 10.1 mtpt -57.99 150.44 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 82.51 -38.24 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 84.5 t80 -35.7 -54.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 t -56.65 -40.19 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' GLY . 44.2 mt -66.86 -42.84 85.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 89' ' ' PHE . 65.5 mt -47.97 167.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.33 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -40.89 -53.4 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.93 -55.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.48 -52.39 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 21.7 mttt -41.29 -45.41 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -61.21 -50.45 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.96 -55.55 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.6 mt -53.15 -62.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -39.21 -55.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -49.64 -38.11 30.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -74.02 -38.92 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.81 94.06 11.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -13.41 34.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.842 0.353 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' GLN . 72.0 m -148.88 145.3 27.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 81' ' ' TYR . 56.2 mt -53.34 134.88 39.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.48 -43.14 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -88.22 33.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 89.0 m-85 -156.93 135.59 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.92 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -147.29 130.63 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.17 154.08 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -51.6 131.68 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.676 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -59.58 137.68 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -80.25 -48.43 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m -127.59 161.74 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -94.97 40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 28' ' ' SER . 16.5 mmt180 -99.28 -59.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.6 p -36.67 152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.2 m -140.95 132.28 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.5 t -63.45 155.45 29.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.7 mmmt -103.03 -26.16 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.14 -51.85 31.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -99.19 -23.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmm 68.12 53.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -134.35 135.33 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.14 143.56 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.5 mt -97.75 122.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.77 145.22 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -71.66 115.95 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.676 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.06 -49.31 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.37 132.0 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.58 137.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.552 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 31.1 ptt180 -134.35 168.92 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.8 mt -141.12 138.1 33.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 54.5 p -127.81 150.41 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.88 112.34 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 3.6 ttmp? -74.49 117.86 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.15 173.18 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' C ' ' A' ' 57' ' ' GLY . 79.8 t -106.26 133.22 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.01 124.46 87.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.35 30.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.23 -33.95 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -125.53 78.54 68.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.33 37.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 24.9 pt20 -59.84 -40.36 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.3 mt -71.29 -51.95 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.554 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 88.8 -125.17 7.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.478 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -69.61 124.91 25.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.604 HD12 ' CD ' ' A' ' 61' ' ' ARG . 14.1 pt -142.8 169.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -134.4 109.44 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.604 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -100.06 178.55 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 56.6 m95 -138.3 150.74 46.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 59.2 m-85 -154.7 132.88 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 33.7 m80 -57.88 152.3 38.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.04 -39.98 33.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.01 -34.04 75.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 m -75.35 -39.01 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -52.72 -45.17 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.96 -49.28 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -55.75 -53.18 59.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.93 30.56 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 19.6 ptt180 -63.72 -44.56 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 12.9 pt-20 -70.44 -44.43 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.07 -55.89 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -57.13 -33.8 67.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.19 39.73 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 81' ' ' TYR . 21.8 t80 -91.28 95.02 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -61.64 153.56 70.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.92 4.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.8 -23.35 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.774 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.7 m-85 -83.06 135.58 34.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.3 p -125.52 161.85 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 89' ' ' PHE . . . -59.02 -31.48 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.8 m -57.68 -35.47 70.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' THR . 18.7 mt-30 -75.19 -37.22 61.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 39.9 mt -51.62 112.35 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 14' ' ' THR . 39.4 mttt -46.38 135.62 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 96.87 -35.79 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 87.1 t80 -36.89 -59.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -50.62 -37.84 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' GLY . 66.8 mt -67.9 -42.68 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.527 HD13 ' OD2' ' A' ' 96' ' ' ASP . 77.4 mt -48.15 142.82 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -60.55 134.87 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.2 m -33.34 -57.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.0 tt0 -35.67 -55.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 92' ' ' LEU . 9.7 t0 -69.09 -49.75 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.6 mtpt -34.89 -51.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -65.75 -49.33 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.09 -57.09 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' LYS . 36.0 mt -58.3 -57.18 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' LEU . 58.0 mttt -35.08 -53.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -49.8 -47.55 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' LEU . 8.6 mt-30 -66.39 -49.34 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.8 mt -115.09 74.88 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -9.08 25.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.855 0.36 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -143.76 151.93 40.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.13 122.79 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.01 -50.62 4.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -47.7 -41.05 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -102.56 139.82 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.55 135.62 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -111.44 131.62 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 3.6 mt-10 -154.24 -176.21 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -96.22 135.82 37.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -65.66 80.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' ALA . 45.2 tttp -34.34 -45.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p -135.81 156.1 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.06 38.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -91.11 -59.52 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -46.1 146.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 m -133.96 132.97 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -66.0 149.0 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -99.41 -23.37 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -41.98 84.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.6 p -109.94 -18.8 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt 66.81 46.78 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -132.2 140.86 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -49.29 152.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.429 HG12 ' NE2' ' A' ' 64' ' ' HIS . 71.7 mt -105.25 99.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -38.26 154.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -80.13 137.28 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.37 -33.92 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -55.44 135.61 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 92' ' ' LEU . 37.9 t -53.47 139.52 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -135.79 161.2 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.33 132.86 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 24.6 p -108.69 151.92 25.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HD2' HD22 ' A' ' 75' ' ' LEU . 44.1 tttm -138.01 112.02 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -75.28 114.68 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.414 ' N ' ' HE1' ' A' ' 58' ' ' MET . 5.6 ptm -164.55 161.64 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.5 132.05 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.39 126.79 87.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.42 37.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.51 -37.27 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -126.97 80.38 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -0.08 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.41 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -46.78 11.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.92 -53.89 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.68 -137.38 13.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -67.87 118.21 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 pt -123.95 169.48 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 111.01 16.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 8.8 mmp_? -96.0 173.51 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 97.4 m95 -138.74 146.63 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.8 m-85 -157.04 140.26 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -68.35 151.68 97.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.95 -40.23 32.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.1 94.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.94 -44.12 73.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -46.57 -35.05 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.81 -38.29 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -55.2 -49.53 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.35 34.92 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.54 -38.49 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.57 -47.51 12.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.04 -44.45 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 46' ' ' LYS . 35.5 mt -61.16 -35.93 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.67 37.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -88.52 124.92 34.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -87.08 156.02 54.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -98.13 -26.52 14.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -80.14 119.67 23.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -120.73 177.86 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.72 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 46.4 t -56.98 -21.92 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -83.76 -33.66 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -52.45 138.23 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 34.5 mtpt -62.62 155.33 26.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . . . 35.87 39.83 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 12.4 t80 -83.03 -43.11 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 t -64.0 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.05 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 42' ' ' VAL . 91.6 mt -54.1 155.23 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 132.31 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -39.59 -53.11 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.64 -53.0 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -63.54 -43.31 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.04 -40.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.05 86.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.18 -36.12 79.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.97 -46.95 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.7 -44.69 73.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.75 -45.42 89.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.52 81.21 1.76 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.67 37.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 87' ' ' LYS . 2.9 m -107.58 132.33 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 18' ' ' PHE . 50.5 mt -45.68 161.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.18 -48.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -91.95 39.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 86.0 m-85 -155.21 127.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.93 155.86 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.575 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -148.71 123.26 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -171.31 166.87 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.71 128.78 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -40.67 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -51.89 -40.56 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -134.99 162.07 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 48.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -122.46 -11.03 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 37' ' ' ILE . 3.1 p -75.25 153.36 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.8 m -135.53 129.24 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 49.6 t -68.02 123.0 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -81.71 -22.55 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.5 97.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.6 27.19 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm 40.64 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' THR . 2.0 mm-40 -104.27 166.93 10.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CD ' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -101.43 133.35 46.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 28' ' ' SER . 24.9 mt -92.43 130.85 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 mp0 -87.1 166.13 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 24.0 tttm -89.11 127.59 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.87 -29.07 9.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -78.87 140.1 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.73 134.44 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 33.6 ptt180 -137.68 170.03 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.575 HD23 ' HB2' ' A' ' 20' ' ' ALA . 7.9 mt -140.68 144.61 35.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.7 p -129.63 160.88 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 23.3 tttm -142.53 118.05 10.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -71.83 113.11 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ptm -164.21 163.39 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.57 150.64 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -89.71 123.44 66.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.03 37.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.09 -49.33 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -115.23 82.05 8.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.232 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -52.15 -33.4 40.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -73.49 -51.65 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.54 -124.81 8.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.8 mmm -72.78 125.63 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 ' HD3' ' A' ' 61' ' ' ARG . 6.7 pt -139.46 166.64 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.51 110.8 16.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' HD12 ' A' ' 59' ' ' ILE . 28.3 mmm180 -101.08 170.58 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.6 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 30.7 m95 -135.51 151.34 50.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 3.6 m-85 -153.33 159.9 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -75.94 149.26 82.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.96 -36.24 26.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.64 -33.25 52.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -78.81 -26.47 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 44' ' ' LEU . 26.2 t80 -65.95 -35.51 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -77.21 -52.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -49.31 -38.14 26.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -111.47 34.04 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -68.85 -41.04 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.59 -47.88 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.34 -51.41 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.6 -35.8 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.32 35.42 1.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 6.1 t80 -94.19 104.3 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -60.25 150.88 70.16 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.57 12.27 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -99.14 19.89 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 20.8 m-85 -116.93 152.49 34.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 p -131.79 -179.67 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.861 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -87.06 -20.68 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.2 p -74.73 -4.69 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -107.91 21.13 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 75.4 mt -96.16 134.62 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.673 ' HA ' HG21 ' A' ' 14' ' ' THR . 24.3 mtmt -57.38 111.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.35 28.7 13.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 34.3 t80 -81.12 -44.52 17.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -63.78 -17.02 62.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -79.24 -38.38 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.63 156.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -74.48 130.62 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ALA . 12.3 m -34.0 -48.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.86 -49.19 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' ALA . 13.7 m-20 -74.87 -48.56 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -38.15 -47.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.28 -45.54 90.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.66 -60.34 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.33 -53.42 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -46.06 -46.69 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -65.09 -48.27 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.47 -36.47 73.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 83' ' ' ALA . 8.6 mt -111.56 79.67 2.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -145.99 143.06 29.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 81' ' ' TYR . 30.6 mt -89.09 115.54 26.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.25 -52.09 11.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.458 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 31.2 p-10 -38.55 -41.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 82.2 m-85 -102.79 134.09 46.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.71 130.22 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -126.26 115.71 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.682 ' HA ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -156.64 175.22 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -73.95 115.3 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.87 113.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.96 -43.3 91.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -136.55 159.98 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -83.77 43.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -110.23 42.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.649 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.8 m -134.55 146.46 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.5 m -137.99 130.2 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.55 125.55 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -80.44 -25.97 38.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.98 -50.36 66.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -118.79 27.33 8.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' CYS . 31.0 mtm 37.31 39.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 29' ' ' THR . 5.1 mm-40 -99.56 169.64 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 131.02 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 28' ' ' SER . 22.3 mt -87.57 118.1 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.47 166.98 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -82.59 129.49 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.65 -42.76 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -53.42 124.52 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.447 HG21 ' OD1' ' A' ' 96' ' ' ASP . 53.8 t -43.08 126.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.636 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 33.4 ptt180 -131.57 146.14 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 20' ' ' ALA . 9.9 mt -117.97 122.65 43.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 52.3 p -100.92 137.39 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HG2' HD22 ' A' ' 75' ' ' LEU . 8.3 tptt -121.0 136.65 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -82.48 104.58 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -163.67 149.5 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.62 145.1 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.11 123.72 84.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -12.09 32.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -94.23 -34.1 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -134.42 80.45 51.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -14.0 35.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.38 -22.08 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.83 -46.34 11.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.59 -134.9 11.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.42 130.22 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.3 pp -150.18 141.08 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.9 128.24 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -126.6 177.99 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.636 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 29.8 m95 -139.1 141.91 38.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 1.3 m-85 -137.57 174.07 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -88.42 144.69 34.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.7 Cg_exo -48.02 -38.46 31.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.632 2.222 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.61 -37.36 46.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -75.02 -25.34 58.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 75' ' ' LEU . 41.0 t80 -66.55 -42.15 87.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 103' ' ' GLN . 48.3 t -66.21 -48.07 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -52.83 -43.34 65.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -105.48 32.21 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 18.6 ptt180 -62.71 -50.32 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' ARG . 8.1 pt-20 -63.59 -46.03 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.69 -52.3 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD22 ' HG2' ' A' ' 46' ' ' LYS . 25.5 mt -55.29 -27.71 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.42 42.82 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -105.62 106.39 16.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.99 154.3 92.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -24.23 29.91 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.45 -14.97 62.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 15' ' ' LEU . 23.5 m-85 -93.03 138.82 31.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.0 p -125.35 166.84 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -49.25 -31.05 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 3.1 t -64.01 -35.62 81.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 15' ' ' LEU . 12.7 mm100 -67.95 -29.25 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 HD21 ' A' ' 44' ' ' LEU . 81.4 mt -59.08 118.64 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.83 122.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 107.61 -34.67 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 88.1 t80 -34.88 -65.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -46.21 -35.77 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.8 mt -72.96 -36.87 67.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 21' ' ' GLU . 85.2 mt -55.05 144.85 22.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.7 151.14 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.5 m -49.02 -59.47 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -40.42 -44.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.593 ' OD2' HD13 ' A' ' 92' ' ' LEU . 13.2 t0 -68.6 -50.7 49.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 23.8 mttt -42.61 -53.83 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.76 -44.31 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.38 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.1 mt -74.05 -53.62 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -39.23 -42.39 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -59.5 -53.92 52.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.465 ' HB3' HG21 ' A' ' 69' ' ' VAL . 15.1 mm100 -61.94 -49.98 73.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.29 77.36 2.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -23.26 31.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.845 0.355 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -101.35 152.27 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' TYR . 15.1 mt -102.02 129.99 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.07 -49.43 8.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.473 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 50.4 m-85 -104.82 133.62 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.07 131.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.79 132.71 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.89 160.18 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.13 129.67 41.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -47.03 127.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' SER . 11.5 ptpt -73.35 -31.67 64.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 58.5 m -138.6 163.86 30.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 39' ' ' LYS . 1.4 p30 -100.34 35.08 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' SER . 31.4 mmt180 -112.18 -60.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ARG . 49.6 m -33.76 110.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -95.42 138.88 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.3 t -62.38 154.27 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 24.9 tptt -100.94 -31.93 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.26 -69.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.6 p -84.12 -19.75 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmm 67.9 49.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -129.08 134.57 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -39.53 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.602 HG23 ' OE1' ' A' ' 41' ' ' GLN . 55.4 mt -129.21 123.14 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 154.06 41.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HB2' ' N ' ' A' ' 26' ' ' ASN . 49.9 tttt -87.05 106.14 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 132.11 -31.92 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 37' ' ' ILE . 3.9 pt20 -65.87 145.57 55.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.11 125.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.677 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 39.6 ptt180 -126.78 177.71 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.69 126.24 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 86.9 p -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 38.7 tttm -144.57 112.86 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -77.09 106.96 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.71 159.58 40.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.25 123.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.36 121.73 85.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.306 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.01 -44.63 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -124.44 83.44 57.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -27.69 26.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 55' ' ' GLN . 2.8 mm100 -39.97 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.03 -35.22 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.3 9.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.49 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.0 OUTLIER -64.19 111.19 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.5 173.72 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -131.11 107.74 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.94 171.44 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.677 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 70.4 m95 -133.02 144.02 49.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -147.49 146.1 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 13.1 m80 -69.63 152.65 96.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -29.41 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.29 -35.2 43.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.7 m -75.65 -23.06 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG21 ' OE1' ' A' ' 103' ' ' GLN . 47.7 t -68.1 -56.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -54.49 -44.3 72.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 32.66 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 10.6 ptm180 -70.1 -41.27 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 30.1 mm-40 -79.84 -47.16 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.1 -53.38 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.91 -31.91 42.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.67 2.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 7.5 t80 -89.24 128.35 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.94 153.45 40.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.05 6.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.4 pt-20 -85.16 -15.67 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 15' ' ' LEU . 15.5 m-85 -106.96 136.87 46.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 72.5 m -128.78 167.53 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.75 -31.1 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -66.27 -34.26 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -69.82 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.94 135.24 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -66.12 138.79 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.82 94.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.84 -42.19 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 m -68.37 -22.57 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.52 -27.42 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.14 169.45 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 96' ' ' ASP . . . -79.41 129.16 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.9 m -41.14 -36.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.76 -44.04 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -85.58 -38.39 18.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -44.07 -52.96 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.67 -43.3 97.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.49 -50.9 70.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.68 -41.3 94.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.02 -36.65 73.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -78.49 -48.45 15.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.508 ' OE1' HG21 ' A' ' 69' ' ' VAL . 5.4 mt-30 -57.93 -48.68 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.73 84.77 5.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -136.62 148.4 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -89.2 123.33 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.2 -45.35 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.3 -41.14 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 82.7 m-85 -102.57 141.31 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.13 138.61 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.707 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.32 127.63 44.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.97 178.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -72.99 127.67 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -40.12 -50.02 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -130.37 162.86 28.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -96.49 46.9 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -100.78 -49.96 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -48.03 145.59 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -135.71 127.68 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.1 t -64.04 150.38 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -98.14 -29.42 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.42 40.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 p -98.15 -9.57 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.8 mtt 56.37 48.04 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.85 142.91 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 152.08 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 64' ' ' HIS . 40.1 mt -103.14 112.97 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.75 151.48 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -77.9 132.05 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.3 -40.63 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -53.72 133.54 41.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.55 141.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.571 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 32.5 ptt180 -139.09 173.36 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD23 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mt -147.94 125.82 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.6 p -108.89 155.38 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 47.5 tttm -144.56 126.13 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -83.5 117.34 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.6 ptm -164.19 171.42 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.8 t -100.22 134.04 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -74.95 127.86 86.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.14 37.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.02 -47.1 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -123.57 82.89 53.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.58 16.5 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -65.77 -45.02 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.02 -47.94 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.81 -120.9 6.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -76.24 103.78 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -117.32 160.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -113.73 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -107.54 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.571 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 67.0 m95 -134.77 154.34 51.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 81.5 m-85 -157.95 126.15 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 34.9 m80 -53.98 153.14 9.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.97 -39.73 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.87 -35.22 65.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -76.89 -29.72 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -66.67 -39.28 88.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.492 HG13 HH21 ' A' ' 72' ' ' ARG . 98.2 t -70.35 -52.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -58.22 -47.57 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -92.88 22.32 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.492 HH21 HG13 ' A' ' 69' ' ' VAL . 5.7 ptp85 -63.13 -19.28 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -82.45 -67.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -41.59 -53.52 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 77.5 mt -56.77 -36.04 69.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.34 43.92 3.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.559 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' TYR . 49.2 t80 -80.14 94.88 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -53.04 148.18 14.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.61 8.73 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.1 -23.3 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' ' CZ ' ' A' ' 77' ' ' PHE . 20.1 m-85 -87.68 118.09 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -114.8 173.89 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.8 -37.18 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 27.5 p -55.32 -39.31 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -76.18 -35.62 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 83' ' ' ALA . 49.8 mt -50.69 112.52 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.71 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 81.54 -36.0 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.88 ' HA ' HD12 ' A' ' 92' ' ' LEU . 72.5 t80 -34.39 -54.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -42.89 97.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' GLY . 56.9 mt -61.19 -43.66 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 89' ' ' PHE . 19.0 mt -48.56 177.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.81 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -38.61 -50.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.8 -55.87 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.3 m-20 -61.94 -46.98 86.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -41.43 -62.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.02 -40.86 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.56 -54.93 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.49 -48.75 74.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -39.55 -48.39 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.04 -46.94 86.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.28 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.01 86.87 46.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.21 31.23 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.713 2.275 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.879 0.371 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m -137.75 146.55 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.6 mt -76.47 119.62 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.03 -39.0 13.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 56.9 m-85 -101.62 138.15 39.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.76 134.12 15.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.7 121.07 39.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.904 ' HA ' HD21 ' A' ' 92' ' ' LEU . 15.0 pt-20 -158.89 167.87 28.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.18 133.28 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -44.45 141.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -88.95 -46.58 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.9 p -133.83 160.43 37.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -93.29 39.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -104.78 -54.51 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -43.22 153.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.476 HG23 ' C ' ' A' ' 35' ' ' GLU . 24.2 m -144.76 125.1 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 t -61.05 155.86 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -102.47 -29.44 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -45.42 95.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -105.73 -19.11 13.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.5 mtm 63.85 53.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.476 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -136.63 137.19 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 138.28 26.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.2 mt -86.16 117.0 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.22 135.01 57.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -65.76 120.01 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.725 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.18 -41.84 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -56.4 134.92 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -47.16 147.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.559 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 21.1 ptt180 -156.0 162.83 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 HD13 ' A' ' 86' ' ' LEU . 3.8 mp -132.47 153.43 50.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 28.5 p -131.28 144.78 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -131.43 121.53 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -74.22 116.31 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.7 ptm -161.28 161.06 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 57' ' ' GLY . 93.4 t -97.99 139.26 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 40.7 t0 -81.76 124.45 79.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -26.99 26.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.9 -47.14 31.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -118.24 81.99 17.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -16.84 37.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -52.41 -45.34 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.19 -50.77 24.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . 86.58 -119.79 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.43 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -66.8 116.19 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 pt -132.55 171.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -119.03 117.12 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NH2' ' OD2' ' A' ' 50' ' ' ASP . 12.2 mmt180 -100.21 167.06 10.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 97.8 m95 -136.54 136.43 39.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -144.78 123.65 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 49.5 m80 -48.58 148.92 3.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.99 -38.66 31.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.23 -34.85 60.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 m -75.97 -38.11 57.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.04 -41.69 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.56 -48.77 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -58.42 -49.24 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.93 32.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -74.2 -46.09 44.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.6 pt-20 -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 41.4 tt0 -62.16 -50.11 73.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.79 -33.1 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.09 42.49 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 t80 -84.93 100.9 11.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 14.5 mmm180 -52.07 154.16 4.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 106' ' ' GLY . 54.3 Cg_endo -69.73 -25.42 28.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -83.09 29.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 8.8 m-85 -118.29 133.55 55.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -131.83 168.41 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.97 -47.57 74.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 15.2 t -45.14 -38.35 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -72.6 -37.03 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 83' ' ' ALA . 78.6 mt -53.01 100.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -38.63 122.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 112.21 -38.71 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.3 t80 -35.22 -55.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -53.81 -41.76 67.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLY . 81.0 mt -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 21' ' ' GLU . 69.2 mt -52.07 171.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.42 149.07 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 m -54.55 -51.32 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.03 -61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -55.32 -46.86 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 3.2 mtpm? -51.03 -60.25 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -42.56 -42.33 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -54.62 -49.21 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 103' ' ' GLN . 38.3 mt -59.55 -55.64 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.3 mtmt -36.68 -48.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.31 -39.02 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' LEU . 30.4 mt-30 -66.96 -50.3 62.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.6 mt -115.98 75.6 5.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.57 21.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -113.74 144.12 43.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 ' CD1' ' A' ' 81' ' ' TYR . 42.0 mt -72.28 110.64 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.52 -41.76 24.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.2 p-10 -65.59 -40.14 92.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 98.0 m-85 -102.37 140.12 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.66 150.51 29.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.5 127.65 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.15 171.89 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -74.33 144.35 44.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -62.93 133.58 54.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -79.11 -48.54 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.6 m -133.01 159.18 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -88.4 38.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -100.04 -50.97 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.7 t -46.74 153.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -143.51 126.61 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.6 t -61.64 155.54 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.37 -27.25 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.91 93.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' CD ' ' A' ' 35' ' ' GLU . 7.8 p -107.72 -17.04 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 23.2 mtm 62.57 54.38 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CD ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt-20 -136.0 139.07 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 146.43 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 81.7 mt -100.22 103.23 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -49.9 145.77 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.24 127.27 32.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 102.67 -40.03 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.12 125.74 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.9 t -41.18 148.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 34.8 ptt180 -153.94 161.95 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -130.91 153.15 49.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.3 p -124.55 145.47 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' HD2' HD22 ' A' ' 75' ' ' LEU . 25.0 tttm -132.26 115.24 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 32.6 tttm -78.89 113.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -160.6 167.87 26.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.02 138.63 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.65 129.57 54.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.35 -48.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -115.53 81.61 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -32.29 18.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.5 -47.61 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.09 -45.44 94.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -126.34 7.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmm -65.26 130.06 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -139.88 168.04 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.66 121.26 42.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -106.27 170.21 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.459 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 98.1 m95 -136.0 139.04 42.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -149.91 122.04 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 36.8 m80 -48.4 149.56 2.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -34.26 22.2 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.29 -33.83 52.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.08 -31.87 56.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD2' HD22 ' A' ' 44' ' ' LEU . 36.2 t80 -61.27 -37.27 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 103' ' ' GLN . 59.0 t -73.68 -41.72 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -66.2 -44.54 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -99.74 33.24 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 36.0 ptt85 -71.04 -41.47 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.0 pt-20 -76.33 -46.03 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.9 -49.34 77.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.502 HD22 ' HD2' ' A' ' 46' ' ' LYS . 30.6 mt -62.47 -36.01 81.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.86 41.27 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 72.1 t80 -90.49 92.77 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 1.7 mmp_? -41.68 146.73 0.56 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.68 36.34 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.55 -25.28 59.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 18.4 m-85 -80.97 131.99 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -128.59 164.98 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.689 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -48.25 -50.96 27.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 11.3 m -46.44 -36.51 6.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -77.18 -37.83 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 83' ' ' ALA . 39.5 mt -50.7 106.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -41.56 120.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.62 -36.35 3.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.578 ' HA ' HD12 ' A' ' 92' ' ' LEU . 76.9 t80 -39.54 -49.87 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -61.66 -38.04 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . 87.5 mt -64.71 -45.4 86.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 89' ' ' PHE . 25.5 mt -47.94 157.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.23 149.67 48.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 m -46.93 -42.26 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -61.3 -56.45 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 21.1 m-20 -56.5 -45.13 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.11 -48.97 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -42.4 -57.78 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.24 -55.38 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -39.94 -52.19 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -49.51 -46.99 49.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' HB3' HG21 ' A' ' 69' ' ' VAL . 86.7 mt-30 -69.16 -48.97 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.32 75.28 4.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -26.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttm . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 87' ' ' LYS . 97.5 m -164.03 138.4 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 37.8 mt -81.82 116.79 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.47 -42.3 10.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.9 p-10 -54.4 -42.1 70.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 94.2 m-85 -102.68 134.55 45.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.26 132.03 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.01 130.38 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.781 ' HA ' HD21 ' A' ' 92' ' ' LEU . 9.7 pt-20 -174.87 172.57 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.45 151.15 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -72.98 158.41 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.15 -48.18 4.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.1 m -139.0 149.3 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 38' ' ' GLU . 3.4 t-20 -78.36 55.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -116.86 -39.67 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -52.44 154.33 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 35' ' ' GLU . 91.8 m -138.37 127.6 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.9 t -68.0 120.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -73.6 -34.01 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.99 -55.18 25.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -115.13 28.24 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' CYS . 3.4 mmt 36.63 39.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 29' ' ' THR . 4.6 mm-40 -98.87 168.45 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.57 130.6 47.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.504 HG23 HE21 ' A' ' 41' ' ' GLN . 43.3 mt -87.92 117.16 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.46 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 mm-40 -72.92 168.37 19.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -84.69 117.54 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.683 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.58 -48.9 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.504 HE21 HG23 ' A' ' 37' ' ' ILE . 12.0 pt20 -52.43 137.55 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.42 141.56 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 14.2 ptt180 -155.96 143.7 19.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.3 mp -109.24 156.9 19.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -127.23 155.53 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -141.78 113.53 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -65.3 116.62 6.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 ptm -161.14 162.8 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.27 133.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.87 121.32 77.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.04 36.65 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.16 -36.78 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -123.89 82.36 55.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.33 37.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.72 -44.61 93.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.09 -47.83 82.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.53 -133.2 11.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.85 122.72 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 pt -134.15 172.71 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.45 124.41 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -105.67 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 97.2 m95 -136.79 147.06 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 10.5 m-85 -148.39 165.39 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -83.48 145.62 48.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.98 -37.01 28.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.8 -33.37 57.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.04 -28.07 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CD2' HD22 ' A' ' 44' ' ' LEU . 32.0 t80 -64.73 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.42 -53.48 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -54.73 -46.67 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -98.91 32.01 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -69.72 -50.86 39.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.86 -48.81 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.75 -56.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.92 -33.28 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.53 1.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 41.4 t80 -92.76 97.69 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 66.8 mtt180 -57.59 151.94 37.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -6.14 17.84 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 4.3 pt-20 -80.09 -21.82 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 11.4 m-85 -90.15 144.55 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.8 p -132.79 177.93 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.79 -40.84 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 84.8 p -51.38 -38.96 56.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -71.83 -37.32 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 83' ' ' ALA . 91.9 mt -50.62 110.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 7.8 mtpm? -47.28 133.28 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.598 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 96.64 -22.56 39.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 23.6 t80 -49.85 -59.31 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.8 m -53.42 -21.49 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.1 mt -82.94 -32.26 27.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 21' ' ' GLU . 78.7 mt -54.18 150.43 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.0 131.78 49.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 77.9 m -32.19 -58.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.88 -55.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' LYS . 22.0 t70 -63.95 -49.64 71.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.3 mtpt -35.21 -63.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -46.01 -62.37 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -37.42 -53.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.04 -39.49 92.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' GLU . 21.9 mtpp -60.64 -42.83 97.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 6.9 ptmt -73.5 -26.04 60.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 34.8 mt-30 -76.93 -49.47 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.95 75.86 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 tptt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.356 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -152.35 167.94 27.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.0 121.8 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.64 20.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.1 -40.64 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -104.58 141.2 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.02 139.78 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.06 130.65 52.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -169.98 162.37 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -67.56 123.35 20.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -38.66 135.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -77.81 -49.13 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.1 t -137.39 154.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.3 47.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 4.8 mmm180 -109.31 -52.95 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -38.57 157.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 35' ' ' GLU . 96.5 m -142.0 127.72 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.3 t -64.35 127.04 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -83.27 -27.55 29.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.0 96.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.2 p -126.06 29.95 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' CYS . 7.4 mtp 35.87 39.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 29' ' ' THR . 7.0 mm-40 -99.44 166.35 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.75 132.0 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 126.72 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.22 157.49 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.55 124.67 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.61 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.79 -34.67 5.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.442 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.42 130.89 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.78 125.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 28.2 ptt180 -129.36 149.53 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 68' ' ' PHE . 8.7 mt -125.74 124.55 41.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.52 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 64.2 p -108.39 139.7 42.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -121.59 120.82 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -69.88 109.34 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -165.81 158.26 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 57' ' ' GLY . 1.9 m -89.49 148.77 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.44 124.9 57.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -18.31 37.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -96.75 -52.06 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -114.2 80.44 5.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.43 14.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.25 -20.58 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -83.66 -43.9 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 92.22 -136.0 13.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.12 121.93 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 pt -142.15 151.08 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 134.1 40.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 13.8 mmt85 -129.55 166.71 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.536 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 99.9 m95 -133.77 152.13 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 55.1 m-85 -156.79 154.61 30.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -71.39 149.15 93.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 44' ' ' LEU . 64.8 Cg_exo -47.98 -38.83 32.13 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.75 2.3 . . . . 0.0 112.313 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.05 -36.46 46.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 m -74.28 -22.95 59.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CD2' HD13 ' A' ' 44' ' ' LEU . 34.2 t80 -70.17 -38.47 75.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.65 -47.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -56.58 -42.83 79.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -98.76 30.91 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.6 ptt85 -69.97 -46.19 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.92 -31.96 73.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.33 -44.87 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.55 -29.41 67.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.85 38.29 3.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 23.7 t80 -84.71 106.62 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.7 156.46 84.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -7.58 21.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 19.0 pt-20 -79.23 -13.0 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 10.1 m-85 -96.25 140.26 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -124.88 175.16 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.67 -22.25 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.9 t -79.41 -8.74 59.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -99.95 8.76 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -90.12 119.75 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -49.98 125.44 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -7.49 76.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 81.5 t80 -59.61 -55.19 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 m -52.22 -28.93 20.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.8 -42.77 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 mt -47.24 150.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.57 139.56 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.1 m -43.84 -38.43 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.46 -58.79 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 26.1 m-20 -53.03 -40.94 64.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 30.7 mttt -48.15 -59.08 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -45.96 -46.12 16.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -49.19 -45.58 44.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 103' ' ' GLN . 50.2 mt -70.87 -55.33 8.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -39.33 -37.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.48 -44.17 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 100' ' ' LEU . 35.5 mt-30 -64.2 -49.79 70.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.55 78.92 6.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.385 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.816 HG21 ' HA ' ' A' ' 87' ' ' LYS . 54.8 m -150.68 133.54 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.19 139.38 57.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.33 -38.79 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.86 -49.46 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HG2' ' A' ' 46' ' ' LYS . 9.5 m-85 -102.95 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.61 155.57 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.74 161.39 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -65.87 129.45 39.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.62 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -54.68 137.25 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -85.96 -41.03 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -137.13 148.43 46.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.6 38.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 mmp_? -93.34 -52.41 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.4 t -46.48 150.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 m -142.07 127.6 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -61.37 155.71 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -101.98 -29.27 11.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.65 -50.6 60.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.9 -16.26 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.2 mtm 62.36 42.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.26 137.42 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 149.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 28' ' ' SER . 93.9 mt -101.09 106.1 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -48.82 149.63 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -79.37 125.24 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.62 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.08 -38.09 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -55.82 136.45 51.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -52.82 132.05 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.56 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 22.3 ptt180 -131.44 170.1 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 86' ' ' LEU . 6.0 mt -144.97 129.92 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 79.3 p -105.32 155.24 19.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 6.0 tmtm? -138.05 140.51 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 31.5 ttpt -108.36 108.62 19.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -152.0 159.82 43.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -88.67 138.68 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.85 128.59 55.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.82 35.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -81.69 -51.89 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -114.9 75.23 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.526 0.679 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.7 36.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.95 -21.53 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.96 -46.13 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.93 -115.71 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -77.68 126.63 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 pt -134.59 157.85 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.38 132.33 53.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.22 175.49 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 93.4 m95 -139.01 146.46 40.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -155.13 127.27 7.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 46.0 m80 -55.87 153.95 15.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -35.62 25.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.63 -32.36 54.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 m -79.12 -32.81 44.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -58.66 -42.23 87.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.6 -34.02 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -60.95 -59.91 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -96.77 31.86 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -55.42 -43.67 75.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.65 -54.71 6.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -50.22 -47.76 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.61 42.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 11.8 t80 -102.16 91.45 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 2.9 mmp_? -50.51 155.6 1.79 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -4.61 14.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 4.56 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 78' ' ' ARG . 2.4 m-85 -92.99 148.3 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.3 m -133.23 167.2 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -71.42 -38.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 60.7 p -59.65 -11.91 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -98.06 19.01 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 44' ' ' LEU . 32.8 mt -102.0 117.89 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.816 ' HA ' HG21 ' A' ' 14' ' ' THR . 15.1 ttmm -43.28 107.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.51 -38.76 2.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 17.8 t80 -35.8 -54.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.9 t -55.18 -41.96 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.7 mt -60.37 -42.99 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.94 171.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -88.18 139.24 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 30.9 m -34.94 -56.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -43.19 -54.03 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.43 -49.57 70.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -39.24 -57.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.57 -52.65 59.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.14 -36.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.1 mt -81.04 -42.64 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -58.08 -42.78 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -62.14 -23.44 66.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -89.05 -45.41 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 83' ' ' ALA . 10.3 mt -113.24 75.8 2.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 4.91 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -158.58 146.96 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.88 121.23 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.92 -35.4 35.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.91 -40.22 79.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 83.3 m-85 -101.55 119.79 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.59 149.06 52.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.86 119.89 26.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -162.09 164.57 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -75.74 127.68 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.789 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -56.97 130.17 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 25' ' ' SER . 10.5 ptpp? -75.65 -43.21 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.3 p -135.58 163.3 30.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.89 40.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -102.04 39.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -138.34 144.95 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 35' ' ' GLU . 97.8 m -138.71 128.25 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.12 121.31 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 25.3 mmtt -79.19 -22.09 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.61 -49.74 62.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -118.96 25.06 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtt 40.97 40.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 29' ' ' THR . 2.4 mm-40 -101.76 168.62 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 128.73 50.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -86.31 124.66 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.54 160.39 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -75.72 137.35 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.1 5.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -65.45 128.02 34.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -44.44 140.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 30.4 ptt180 -145.54 147.32 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.716 HD21 HD13 ' A' ' 86' ' ' LEU . 9.3 mt -119.08 115.89 25.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.5 p -96.45 158.43 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 11.0 ttpt -144.14 112.12 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' HE2' ' A' ' 58' ' ' MET . 16.8 ttmt -64.95 114.22 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptm -154.95 169.62 23.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.4 t -96.13 135.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.41 126.81 77.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -24.62 29.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.12 -45.31 41.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -123.91 87.97 52.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.92 21.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 15.8 pt20 -47.53 -46.42 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 34.6 mt -61.47 -50.77 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.34 -125.6 7.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 46.6 mmm -66.91 132.25 47.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.63 177.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -124.89 126.43 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -120.78 174.98 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 67.3 m95 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 44.9 m-85 -154.41 165.66 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -82.21 143.56 48.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 64.7 Cg_exo -48.02 -37.37 29.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.74 -34.89 52.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 m -78.63 -26.96 45.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CD2' HD13 ' A' ' 44' ' ' LEU . 91.5 t80 -69.76 -33.56 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 103' ' ' GLN . 52.0 t -80.61 -44.19 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.48 -44.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.19 32.79 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -70.5 -32.82 70.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.11 -46.1 71.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.58 -31.4 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.56 43.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 2.5 t80 -96.1 100.08 11.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -63.57 158.3 60.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 3.93 2.51 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.628 2.219 . . . . 0.0 112.368 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 1.7 tt0 -93.96 -26.45 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 2.7 m-85 -82.97 121.17 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 p -122.59 176.3 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -58.67 -30.75 67.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -76.19 -20.59 57.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.39 -35.86 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 44' ' ' LEU . 93.7 mt -51.04 137.28 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -64.87 161.76 17.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.19 32.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 11.5 t80 -86.32 -46.1 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 -32.2 72.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.0 mt -46.55 154.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -66.14 139.33 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' ALA . 97.9 m -37.59 -55.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.5 -42.29 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -69.31 -31.98 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -64.15 -41.15 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.0 -48.1 77.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.08 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.81 -40.47 12.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.88 -41.91 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -51.96 -41.85 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.717 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.9 mm-40 -80.24 -32.31 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 83' ' ' ALA . 6.5 mt -114.32 94.02 33.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.39 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' GLN . 26.6 m -139.3 142.28 37.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' TYR . 40.1 mt -75.92 91.18 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.54 -43.71 28.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 18' ' ' PHE . 3.2 p30 -54.78 -39.58 68.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.445 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 35.3 m-85 -101.63 124.39 47.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.1 135.38 45.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.546 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -124.0 136.17 54.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.98 174.97 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -78.57 123.49 27.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.11 121.97 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -72.98 -44.51 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -137.7 149.53 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -82.28 41.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -96.31 -57.59 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -45.17 140.67 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' C ' ' A' ' 35' ' ' GLU . 19.1 m -127.75 131.26 49.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.7 t -66.06 153.11 43.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -26.71 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.4 91.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.9 p -107.01 -15.3 14.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 73.8 mtm 59.96 52.51 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.438 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -138.38 137.02 36.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 145.17 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 94.8 mt -93.05 134.23 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.7 139.68 45.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -71.76 132.19 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.3 -38.26 3.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.43 144.87 50.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.11 140.53 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 29.3 ptt180 -138.52 167.69 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 20' ' ' ALA . 5.8 mt -145.76 113.37 6.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 38.3 p -98.0 151.27 20.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HD3' HD22 ' A' ' 75' ' ' LEU . 34.8 tttp -125.97 135.86 52.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -102.74 111.01 23.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 4.7 ptm -155.22 169.15 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' GLY . 78.6 t -99.58 149.63 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -96.91 123.56 53.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.22 37.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.54 -45.19 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -124.67 82.56 59.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.88 29.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 9.0 pt20 -61.95 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 38.9 mt -62.71 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' VAL . . . 94.9 -110.17 3.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -97.03 118.7 34.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 0.0 110.858 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' CD ' ' A' ' 61' ' ' ARG . 17.0 pt -111.91 170.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 112.6 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.541 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -103.01 -179.18 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 62.7 m95 -138.8 148.07 43.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 17.6 m-85 -151.69 132.44 14.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 18.3 m80 -59.04 152.05 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . 65.1 Cg_exo -48.01 -40.26 33.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -37.64 93.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 m -73.13 -40.31 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -56.35 -42.62 78.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' PRO . 98.9 t -64.94 -36.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.82 -47.1 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -99.5 32.66 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -71.67 -45.26 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -68.38 -46.39 70.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.67 -45.92 90.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 ' HD3' ' A' ' 46' ' ' LYS . 15.6 mt -59.66 -35.96 75.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.28 46.98 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.37 92.96 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 81.8 mmt-85 -50.86 154.16 2.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.05 3.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -101.82 -26.39 13.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 13.3 m-85 -77.96 122.79 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -129.01 171.99 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -46.91 -39.13 11.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -60.03 -33.04 71.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 mm-40 -71.48 -32.95 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 83' ' ' ALA . 75.4 mt -54.6 138.4 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 2.2 tmmm? -73.87 113.68 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.97 33.3 5.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 79.8 t80 -84.47 -51.16 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -53.56 -31.58 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.8 -38.17 79.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 100' ' ' LEU . 89.7 mt -45.21 149.47 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -62.64 127.08 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' ALA . 27.0 m -33.42 -51.9 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.3 -48.29 74.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.2 m-20 -64.89 -50.09 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.4 mtpt -37.37 -65.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -47.3 -46.96 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -47.74 -52.17 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 92' ' ' LEU . 35.4 mt -62.17 -60.78 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 100' ' ' LEU . 33.3 mtpt -34.1 -49.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -50.31 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.46 -49.46 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.19 77.84 1.26 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.42 37.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -138.28 129.61 27.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 110.863 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -45.78 118.99 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.59 169.37 42.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -80.9 121.21 25.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -60.45 137.62 58.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.41 87.25 1.17 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.18 79.92 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.501 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t -103.54 154.54 19.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.953 0.406 . . . . 0.0 110.842 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 tmtt? -117.78 94.62 4.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.9 145.49 28.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -124.56 -38.77 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -126.81 39.97 3.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 m -122.92 147.52 46.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 81' ' ' TYR . 62.1 mt -85.29 124.1 31.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -76.06 -60.95 2.97 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.508 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.589 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 0.7 OUTLIER -38.26 -39.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.589 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 73.7 m-85 -101.49 120.63 40.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.45 142.87 37.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.76 138.25 47.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.126 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -168.96 166.04 11.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -65.62 137.72 57.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.44 92.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -44.61 -48.48 10.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 88.9 p -136.44 162.65 32.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -95.3 45.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -92.7 -53.56 4.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.1 t -59.42 158.28 9.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.1 m -140.53 131.47 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 49.7 t -62.93 152.38 36.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -105.34 -20.65 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -72.3 -30.99 64.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.6 p -122.07 -9.39 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 60.8 mtp 57.85 45.67 18.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -131.82 137.7 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.55 153.89 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.7 mt -103.72 102.21 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -52.57 137.47 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.8 tttm -59.31 145.79 41.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.8 -45.11 2.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -55.96 126.93 27.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.33 145.95 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -149.92 158.22 43.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.561 HD23 HD13 ' A' ' 86' ' ' LEU . 2.5 mp -129.54 162.27 28.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.404 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 83.2 p -135.35 154.63 51.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 75' ' ' LEU . 29.3 tttt -137.43 119.38 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.44 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 1.1 ttmp? -67.46 116.6 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.9 ptm -162.48 165.59 25.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.583 HG22 ' C ' ' A' ' 57' ' ' GLY . 49.3 t -99.48 131.29 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -73.84 126.74 89.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -27.14 26.95 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.653 2.236 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -84.01 -22.89 31.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.9 mmtm -133.48 75.97 68.4 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.534 0.683 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -15.81 37.41 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 13.8 pt20 -63.61 -41.28 98.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 14.0 mt -65.08 -48.02 75.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.583 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 85.23 -131.57 10.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.459 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.44 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -64.26 103.18 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 110.868 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 pt -119.97 175.57 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -128.31 113.81 16.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -95.52 173.9 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.412 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 61.0 m95 -136.53 141.26 43.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 12.8 m-85 -147.7 133.91 19.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.579 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 30.0 m80 -53.32 147.68 18.41 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.97 -35.45 25.19 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.646 2.231 . . . . 0.0 112.376 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.92 -31.34 62.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -78.8 -33.72 46.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -59.88 -37.72 80.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG21 ' HB3' ' A' ' 103' ' ' GLN . 58.3 t -70.9 -56.22 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.169 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -53.95 -45.08 71.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -99.08 33.63 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -70.25 -29.2 65.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -87.13 -50.26 6.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -54.69 -45.32 73.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 46' ' ' LYS . 38.6 mt -64.23 -32.22 73.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 106.23 42.53 1.62 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.546 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 t80 -100.44 107.88 19.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.9 mtt85 -76.31 159.15 80.65 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.434 ' HB2' HG12 ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.81 -18.53 36.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.653 2.236 . . . . 0.0 112.298 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.7 pt-20 -64.89 -17.42 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 8.7 m-85 -109.94 129.2 55.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.0 t -109.2 -175.03 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.56 -38.09 68.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.537 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 8.6 t -62.88 -8.5 7.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -100.72 12.22 37.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.561 HD13 HD23 ' A' ' 44' ' ' LEU . 74.8 mt -92.57 115.7 28.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -44.61 110.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 89' ' ' PHE . . . 118.05 -37.49 3.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.47 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.665 ' HA ' HD12 ' A' ' 92' ' ' LEU . 90.3 t80 -35.81 -59.39 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.7 t -48.1 -43.08 30.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 88' ' ' GLY . 82.5 mt -64.64 -43.21 94.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 89' ' ' PHE . 53.3 mt -47.46 167.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -84.62 140.79 31.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.2 m -39.51 -55.61 1.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -43.52 -56.58 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.6 m-20 -62.9 -44.26 96.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 31.4 mttp -46.69 -64.19 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -48.11 -36.4 13.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -56.68 -35.75 68.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.5 mt -81.22 -38.09 27.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -62.43 -41.69 98.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -64.37 -24.83 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.454 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.6 mt-30 -87.73 -47.05 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.3 mt -111.0 85.89 5.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 2.53 3.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.0 -112.96 3.55 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 79' ' ' PRO . 7.0 m -83.47 125.4 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.39 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.41 132.72 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 56.2 p -88.44 87.67 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -95.91 125.83 40.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -117.41 153.8 17.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -67.8 150.39 48.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.9 ptp85 -133.67 150.13 51.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -123.09 151.47 41.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.4 -124.73 5.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -137.71 173.8 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -158.51 155.78 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 p -71.62 140.43 18.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.89 -35.66 10.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 168.24 -72.59 0.14 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.453 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.5 t 52.88 49.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.371 . . . . 0.0 111.124 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.2 144.86 55.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -117.64 174.27 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 m -55.36 167.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.18 145.27 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -144.25 178.27 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.16 119.26 22.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -153.92 177.48 10.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.8 t -108.86 178.49 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.823 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -145.22 153.83 25.52 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -174.76 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.659 2.239 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 t -132.36 155.64 48.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.8 t -105.78 177.92 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.486 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 p -163.44 140.18 7.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.353 . . . . 0.0 110.862 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -157.52 169.65 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.43 -86.21 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.4 p 45.76 44.51 10.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -71.22 151.76 44.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.842 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.67 177.08 46.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.58 178.61 27.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.52 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 t -119.74 60.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.82 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -120.12 179.89 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -127.64 76.37 1.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -108.46 160.75 15.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -82.85 43.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.6 m -109.4 141.75 41.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD11 ' CD1' ' A' ' 81' ' ' TYR . 16.0 mt -68.12 134.54 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.52 -49.39 4.64 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -46.89 -41.05 15.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -102.72 132.55 48.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.35 129.12 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.38 125.32 53.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -157.41 163.12 38.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -68.57 147.8 51.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.66 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -64.69 143.95 57.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.9 tppt? -98.61 -41.57 7.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.8 m -134.56 149.23 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -82.58 42.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -108.99 -59.35 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 t -37.91 144.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.4 m -134.87 137.99 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.589 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.0 t -71.1 155.38 40.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -103.34 -27.81 12.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.3 -46.34 90.99 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.7 p -105.58 -22.97 12.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.905 0.383 . . . . 0.0 110.942 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 21.1 mmm 70.37 47.82 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' CE1' ' A' ' 64' ' ' HIS . 5.6 pt-20 -131.47 139.44 49.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.35 153.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG12 ' NE2' ' A' ' 64' ' ' HIS . 98.3 mt -108.06 113.13 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -55.96 144.98 26.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -73.05 129.96 39.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.66 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.45 -34.13 5.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.528 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -59.03 137.03 58.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.861 0.362 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.642 HG21 ' OD2' ' A' ' 96' ' ' ASP . 79.6 t -55.1 139.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -149.35 161.12 42.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 HD23 HD13 ' A' ' 86' ' ' LEU . 3.1 mp -128.93 159.97 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.481 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 89.4 p -138.27 143.16 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -123.74 127.69 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -94.35 113.73 25.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.73 170.1 18.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.3 t -94.3 131.3 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -72.33 127.2 90.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.582 0.706 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.92 29.21 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.714 2.276 . . . . 0.0 112.284 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -78.25 -46.71 19.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -119.32 80.29 20.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.592 0.71 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -11.45 30.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.343 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -67.43 -41.91 84.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.38 -42.21 99.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.0 -133.47 11.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.1 mmm -67.59 131.87 46.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.747 0.308 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.551 HD12 ' HD3' ' A' ' 61' ' ' ARG . 43.6 pt -140.25 163.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.28 110.87 12.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -105.51 176.84 5.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.481 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 80.8 m95 -136.43 146.4 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 38.7 m-85 -148.85 139.0 22.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.589 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 28.6 m80 -60.41 148.86 79.09 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.569 0.7 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.96 -35.52 25.3 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.378 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.5 -29.69 65.51 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -79.29 -29.11 42.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -66.85 -37.62 84.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.669 HG22 ' HG ' ' A' ' 104' ' ' LEU . 58.0 t -74.54 -56.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -52.1 -44.67 64.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -101.42 30.6 4.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -65.23 -32.38 74.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -82.11 -57.28 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -52.08 -46.71 65.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 24.4 mt -57.18 -30.86 64.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.93 37.6 3.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -94.08 96.1 9.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.85 0.357 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 14.9 mmp_? -54.14 150.32 15.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.564 0.697 . . . . 0.0 110.836 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -8.7 24.27 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' A' ' 81' ' ' TYR . 13.1 pt-20 -75.36 -22.22 57.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 12.4 m-85 -94.13 144.32 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 p -127.76 171.16 11.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.57 ' O ' ' CD2' ' A' ' 89' ' ' PHE . . . -59.25 -25.6 64.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.075 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.5 p -81.76 8.13 10.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -117.17 13.91 14.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 HD13 HD23 ' A' ' 44' ' ' LEU . 41.6 mt -96.27 129.41 43.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -55.91 105.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.28 -26.22 7.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.472 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.57 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 40.2 t80 -47.81 -54.06 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 t -52.86 -36.96 59.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.48 -37.95 77.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 89' ' ' PHE . 95.3 mt -48.06 165.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.23 130.42 35.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.103 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.47 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.9 m -32.64 -52.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -45.99 -59.96 2.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.642 ' OD2' HG21 ' A' ' 42' ' ' VAL . 0.0 OUTLIER -60.44 -54.47 45.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HE2' ' CE1' ' A' ' 89' ' ' PHE . 15.3 mtpt -34.99 -59.48 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -54.62 -42.37 71.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -44.98 -52.87 8.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 101' ' ' LYS . 63.0 mt -63.26 -60.16 3.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 100' ' ' LEU . 14.7 mtpp -35.09 -44.93 0.26 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 mtpt -48.92 -58.2 5.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 99' ' ' ALA . 2.2 mp0 -69.78 -44.92 69.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.669 ' HG ' HG22 ' A' ' 69' ' ' VAL . 14.4 mt -107.42 81.56 1.08 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.571 0.701 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.59 37.59 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.352 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.36 -89.42 0.49 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 31.4 m -80.44 154.93 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 111.119 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 109' ' ' SER . 5.7 mtpt -151.48 152.19 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 108' ' ' LYS . 10.8 t -35.57 -62.25 0.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 53.77 52.91 12.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -96.73 69.19 0.86 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.69 164.72 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.801 0.334 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.1 ttp180 -86.92 132.41 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.82 156.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.98 171.56 13.85 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -161.63 141.19 10.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -136.34 127.7 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.1 t -125.62 136.5 60.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -140.57 171.7 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -101.86 81.07 0.41 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 32.5 m -81.52 131.81 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 111.085 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -102.4 163.56 12.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -141.42 110.71 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.11 117.69 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.38 155.76 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.072 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -171.64 149.98 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -144.36 137.38 27.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 76.9 mttt -117.77 174.92 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.4 m -72.01 160.59 32.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -115.53 153.37 17.6 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -174.82 0.98 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -138.7 174.97 9.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -152.97 174.3 14.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.479 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 m -119.87 132.76 55.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 m -84.65 168.86 14.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.55 120.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.475 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -110.67 -53.89 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.859 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -67.06 153.78 42.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.824 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.72 124.27 1.14 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.99 117.69 1.04 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -126.64 156.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.997 0.427 . . . . 0.0 110.806 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -118.13 115.45 24.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.76 113.11 13.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -98.59 -40.68 8.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -121.67 45.43 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.0 m -154.29 129.42 9.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.11 134.78 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.09 -50.12 4.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.505 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -46.87 -42.82 18.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -104.07 147.96 26.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -160.92 137.41 8.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.121 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -114.51 132.38 56.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -174.02 162.96 3.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -61.34 154.24 24.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.58 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -66.41 130.38 43.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -69.88 -51.56 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 t -138.85 158.07 44.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -82.99 48.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 28' ' ' SER . 3.0 mmp_? -114.35 -52.51 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.41 ' HB3' HD12 ' A' ' 37' ' ' ILE . 7.2 m -38.37 157.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.811 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 35' ' ' GLU . 99.4 m -140.51 129.01 22.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 38.9 t -69.49 117.47 11.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.0 mmtt -77.68 -18.69 56.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.28 -52.85 36.81 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.3 p -115.87 20.36 14.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 69.7 mtm 48.88 38.26 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 29' ' ' THR . 9.0 mm-40 -102.28 173.21 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.4 128.36 53.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.41 HD12 ' HB3' ' A' ' 28' ' ' SER . 70.7 mt -84.18 120.41 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.506 ' CG ' ' HG3' ' A' ' 41' ' ' GLN . 11.2 pt-20 -89.09 152.31 21.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 65.5 tttt -67.42 134.28 51.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.85 -40.21 2.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' HG3' ' CG ' ' A' ' 38' ' ' GLU . 35.2 mm-40 -67.82 123.12 19.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -44.88 138.98 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.487 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 23.3 ptt180 -150.98 152.86 34.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -116.91 155.29 29.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 96.4 p -120.04 136.38 54.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.486 ' CE ' ' HB3' ' A' ' 75' ' ' LEU . 24.0 tttt -123.22 111.21 16.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 tttt -78.3 115.78 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.0 ptm -162.51 161.36 26.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.2 t -96.86 132.2 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -79.43 132.92 60.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.592 0.711 . . . . 0.0 110.877 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -24.95 28.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.312 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -75.4 -50.88 14.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -114.37 75.04 3.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.54 0.686 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -16.05 37.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.373 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -60.76 -40.49 92.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -65.86 -42.56 90.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.08 -134.08 12.52 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.1 124.98 23.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.73 0.3 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.2 pt -133.79 169.08 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -126.36 110.97 13.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -110.9 167.37 10.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.637 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 44.8 m95 -128.01 153.86 46.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 4.0 m-85 -150.18 171.83 16.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -85.33 144.66 41.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.56 0.695 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.97 -41.26 33.05 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -71.5 -36.34 62.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.2 m -74.58 -32.98 62.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.547 ' CD2' HD22 ' A' ' 44' ' ' LEU . 41.5 t80 -58.0 -38.39 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.845 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.644 HG22 HD21 ' A' ' 104' ' ' LEU . 43.3 t -75.91 -55.74 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.78 -42.64 62.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.704 ' O ' HD12 ' A' ' 75' ' ' LEU . 11.1 m-20 -101.19 34.93 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 28.8 ptt-85 -70.95 -54.22 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.453 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.4 mt-10 -58.98 -63.22 1.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 75' ' ' LEU . 3.0 pt-20 -39.65 -45.27 1.63 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 71' ' ' ASN . 27.6 mt -72.95 -35.84 67.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.44 40.84 1.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 43.9 t80 -91.22 92.75 8.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.507 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 44.4 mtt85 -50.43 152.48 3.18 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.854 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -19.77 35.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.662 2.241 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.47 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 6.8 pt-20 -64.94 -22.49 67.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 5.9 m-85 -84.54 133.38 34.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.3 p -129.22 166.68 18.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.57 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -54.47 -39.19 67.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.551 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.1 t -58.73 -38.08 77.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 14' ' ' THR . 14.1 mt-30 -66.15 -34.89 79.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.8 mt -51.09 130.48 26.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.558 ' HA ' HG21 ' A' ' 14' ' ' THR . 31.6 tttp -67.34 121.46 15.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 88.82 32.77 10.6 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 26.4 t80 -83.05 -51.29 7.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.4 t -53.71 -36.01 61.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.84 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.3 mt -59.27 -40.52 86.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 72.6 mt -53.1 149.72 6.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.6 139.91 55.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.6 m -44.14 -42.29 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.2 -58.56 2.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 2.9 p30 -66.59 -47.05 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.532 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 17.7 mttm -37.85 -68.12 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 101' ' ' LYS . 32.5 mt-10 -46.44 -38.77 9.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -63.65 -44.68 93.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.034 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 103' ' ' GLN . 52.5 mt -70.21 -55.7 8.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.421 ' NZ ' ' HA ' ' A' ' 98' ' ' GLU . 7.7 mtmp? -38.2 -47.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.3 mttm -70.38 -38.4 74.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 100' ' ' LEU . 7.6 mm-40 -61.83 -51.27 68.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.644 HD21 HG22 ' A' ' 69' ' ' VAL . 10.9 mt -112.08 76.88 1.91 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.629 0.728 . . . . 0.0 110.947 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.98 36.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.375 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 117.59 -99.31 0.81 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.2 m -85.63 135.79 24.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.91 0.386 . . . . 0.0 111.099 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -148.47 122.26 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 70.2 m -106.53 144.35 33.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -170.99 168.7 6.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -110.24 -153.02 13.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.0 mmtm -139.2 -179.94 6.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.325 . . . . 0.0 110.905 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.74 158.66 43.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.58 150.32 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.28 167.66 21.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -124.94 173.36 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.776 0.322 . . . . 0.0 110.85 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -156.22 163.4 39.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.52 143.11 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -103.66 177.37 4.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -96.5 -142.36 13.13 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.19 137.95 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -83.25 165.83 19.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -111.19 178.37 4.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 58.4 t -97.38 145.98 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.139 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -45.12 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.79 130.87 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 128' ' ' LYS . 13.3 pttp -163.74 147.06 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -36.17 111.23 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.4 p -48.27 172.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -157.37 150.46 21.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -172.59 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.368 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.6 t 66.85 42.44 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.6 p -87.56 139.36 30.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.801 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.51 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 p -71.3 138.04 49.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.836 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t 54.69 42.12 31.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.01 161.57 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -157.4 142.36 16.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.376 . . . . 0.0 110.838 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -124.73 126.23 45.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.97 177.98 19.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.458 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.92 128.98 0.35 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -134.18 112.73 11.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.965 0.412 . . . . 0.0 110.831 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -108.84 124.89 51.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.63 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.089 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -95.36 177.27 5.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -75.48 80.82 2.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 87' ' ' LYS . 47.0 m -150.11 138.32 20.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.803 HD13 ' CE2' ' A' ' 81' ' ' TYR . 40.8 mt -74.78 97.84 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -51.18 -48.28 47.38 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.518 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -49.15 -34.17 13.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 93.7 m-85 -106.67 125.28 50.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.9 148.59 51.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.573 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -134.36 127.08 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -168.9 177.21 5.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -79.15 135.63 36.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -62.25 151.23 36.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -92.53 -49.79 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -133.54 156.17 48.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -81.53 45.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -100.58 -54.45 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' C ' HD12 ' A' ' 37' ' ' ILE . 66.5 m -50.82 132.31 26.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.465 HG23 ' C ' ' A' ' 35' ' ' GLU . 67.1 m -122.89 143.33 49.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 46.3 t -76.46 151.79 36.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.447 ' HE3' ' C ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.53 -26.63 14.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.07 -51.29 40.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 p -98.86 -15.55 19.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 11.1 mtp 61.28 47.3 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' C ' HG23 ' A' ' 29' ' ' THR . 4.7 pt-20 -132.49 138.68 47.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.03 144.57 14.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 28' ' ' SER . 35.7 mt -92.83 125.08 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.25 141.13 58.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.1 ttpt -66.37 140.38 58.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.43 -41.11 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -51.71 136.92 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.346 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.4 t -51.68 137.6 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 31.6 ptt180 -137.72 171.58 14.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.8 mt -144.64 128.34 17.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.2 p -106.98 126.09 51.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 10.1 ttpp -114.78 118.19 32.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -65.71 104.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ptm -164.18 159.88 20.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' C ' ' A' ' 57' ' ' GLY . 2.8 m -89.36 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -53.61 126.31 47.95 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.566 0.698 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -13.3 34.5 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.783 2.322 . . . . 0.0 112.32 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -103.46 -42.22 5.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.7 mtmm -122.34 84.5 46.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.599 0.714 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.79 7.42 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 0.0 112.377 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -61.52 -53.14 60.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.1 mt -55.8 -36.57 67.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.586 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 82.57 -133.36 11.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.447 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.3 OUTLIER -64.16 120.29 11.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.885 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.439 HD12 ' CZ ' ' A' ' 61' ' ' ARG . 6.4 pt -145.3 150.64 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -86.16 110.37 19.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' CZ ' HD12 ' A' ' 59' ' ' ILE . 18.2 mmt-85 -101.78 173.62 6.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 99.1 m95 -138.83 150.71 46.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -156.87 125.57 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.959 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 43.2 m80 -55.76 151.18 23.88 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.569 0.699 . . . . 0.0 110.907 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.91 -41.39 32.5 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.716 2.277 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.68 -35.61 74.3 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.472 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.8 m -74.99 -31.27 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.827 0.346 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -63.06 -43.94 97.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG12 ' OE2' ' A' ' 110' ' ' GLU . 60.4 t -64.01 -45.59 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -64.03 -59.42 4.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -87.89 31.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 7.8 ptm180 -67.29 -41.15 85.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 17.0 mm-40 -65.37 -67.92 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' HB2' ' CE ' ' A' ' 112' ' ' LYS . 4.4 tm-20 -41.68 -49.3 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.24 -33.98 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 73' ' ' GLU . . . 105.61 42.79 1.66 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.443 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 5.4 t80 -88.43 99.43 12.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -49.41 156.19 1.14 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.528 ' HB2' HG12 ' A' ' 107' ' ' VAL . 54.2 Cg_endo -69.8 -26.35 27.48 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.659 2.239 . . . . 0.0 112.308 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -90.77 28.97 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.803 ' CE2' HD13 ' A' ' 15' ' ' LEU . 4.3 m-30 -109.4 136.98 47.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -132.63 172.06 13.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.23 94.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.154 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 86.9 p -60.3 -13.69 14.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -90.32 15.17 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' A' ' 20' ' ' ALA . 62.0 mt -98.75 137.5 37.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HA ' HG21 ' A' ' 14' ' ' THR . 13.1 mtpp -64.0 113.5 3.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.97 31.61 9.09 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' C ' ' CD1' ' A' ' 89' ' ' PHE . 2.8 t80 -79.64 -38.37 33.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 t -65.45 -33.49 76.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 86.7 mt -63.07 -45.64 91.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.2 mt -44.47 166.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.924 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -81.68 137.54 35.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' ALA . 55.2 m -36.72 -47.82 0.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -57.15 -55.05 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -57.63 -49.41 76.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.79 -60.45 1.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -51.87 -51.78 54.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.95 -48.11 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.7 mt -68.11 -48.54 65.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -50.08 -50.85 46.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -55.38 -49.97 70.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' VAL . 33.7 mm-40 -59.58 -46.65 88.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.5 mt -109.75 76.23 0.9 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.599 0.714 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 3.03 3.01 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.392 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.35 -83.5 0.36 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.528 HG12 ' HB2' ' A' ' 79' ' ' PRO . 0.5 OUTLIER -102.24 125.32 56.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HB3' ' NH1' ' A' ' 72' ' ' ARG . 60.9 tttt -161.32 131.62 5.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 p -133.49 103.97 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.517 ' OE2' HG12 ' A' ' 69' ' ' VAL . 20.6 mt-10 -89.5 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 113.99 168.9 16.56 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.407 ' CE ' ' HB2' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -163.04 167.83 21.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.808 0.337 . . . . 0.0 110.891 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.1 mmt-85 -131.96 175.7 8.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 42.4 mttm -113.88 174.62 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -152.24 -155.22 6.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.438 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -97.0 176.38 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.765 0.316 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -154.46 132.42 11.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 87.3 t -105.98 145.6 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -153.43 139.21 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -169.51 126.52 1.37 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 13.4 p -137.07 135.97 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -158.22 160.08 36.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -171.31 165.47 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.8 t -89.39 126.23 42.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -42.53 104.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -146.4 128.92 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.43 82.63 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.66 125.36 38.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 69.8 m -148.44 136.17 20.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -168.53 -162.94 21.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.486 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.59 3.59 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.8 p -158.34 120.13 3.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 57.3 p -172.95 116.79 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.464 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -170.37 156.47 5.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 p -118.54 160.67 21.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.89 -161.62 10.81 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.503 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -158.21 168.77 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.829 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 p -127.47 177.86 6.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.01 154.39 24.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.445 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 150.78 134.34 2.2 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.464 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t -170.34 122.57 0.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.956 0.407 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -129.04 178.16 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -121.3 98.15 5.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -153.59 163.67 39.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -83.52 42.32 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.7 m -102.7 155.46 18.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.7 mt -93.82 119.49 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.36 -47.26 6.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -52.82 -42.07 64.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 98.3 m-85 -103.42 130.6 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.0 140.72 23.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.514 ' HB2' HD13 ' A' ' 86' ' ' LEU . . . -126.24 126.92 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.082 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.55 ' HA ' HD21 ' A' ' 92' ' ' LEU . 13.5 pt-20 -168.67 169.35 10.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -65.35 154.27 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.953 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.5 142.96 38.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.078 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -87.75 -49.25 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -138.79 151.76 47.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.421 ' ND2' ' H ' ' A' ' 26' ' ' ASN . 3.3 p30 -82.53 40.32 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -92.2 -58.56 2.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.7 t -50.9 158.24 0.71 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 23.8 m -140.24 132.04 27.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.5 t -64.82 152.64 42.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -101.02 -26.47 13.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.95 -46.65 88.67 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.63 -4.65 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.823 0.344 . . . . 0.0 110.851 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 78.3 mtm 52.91 43.98 30.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -127.31 142.0 51.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.95 151.59 8.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG12 ' NE2' ' A' ' 64' ' ' HIS . 66.9 mt -99.45 123.76 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -69.04 128.19 35.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -59.79 141.22 55.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.81 -33.08 4.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.457 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -66.83 140.89 57.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -56.01 145.24 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -152.44 164.97 36.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.5 mp -130.82 157.63 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.2 p -125.87 146.46 49.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD3' HD22 ' A' ' 75' ' ' LEU . 16.2 tttt -137.92 114.83 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 12.0 ttmt -79.03 123.64 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 12.8 ptm -164.17 156.98 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.6 t -84.73 135.05 25.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.09 122.75 88.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.721 . . . . 0.0 110.84 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -26.54 27.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.336 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -81.97 -41.8 20.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttm -118.66 82.21 19.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.54 0.686 . . . . 0.0 110.846 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -14.21 35.67 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.367 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -65.29 -43.72 90.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.3 mt -58.66 -54.23 49.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.21 -131.94 10.85 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.479 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -68.76 121.68 17.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.2 pt -134.75 166.61 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -117.95 122.15 42.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -108.91 168.4 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.61 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 86.5 m95 -133.24 152.48 51.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 31.4 m-85 -157.33 129.99 7.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 32.4 m80 -52.1 148.36 11.34 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.603 0.716 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.99 -32.2 17.59 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.633 2.222 . . . . 0.0 112.368 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.94 56.29 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 34.5 m -79.95 -33.65 39.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.836 0.351 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.531 ' CD2' HD22 ' A' ' 44' ' ' LEU . 30.8 t80 -58.68 -33.43 70.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.4 t -79.39 -51.3 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.137 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 mtpt -56.05 -45.35 79.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -98.15 25.32 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.0 ptt180 -60.98 -46.15 91.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -74.7 -48.04 28.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -53.54 -45.45 69.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD22 ' HD3' ' A' ' 46' ' ' LYS . 59.2 mt -67.93 -35.98 79.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.99 43.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.446 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 12.2 t80 -89.31 102.68 15.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.527 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 39.6 mmt180 -61.84 153.01 74.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 -11.34 30.68 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.662 ' CG ' ' CE1' ' A' ' 81' ' ' TYR . 5.0 pt-20 -78.51 -15.97 58.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.662 ' CE1' ' CG ' ' A' ' 80' ' ' GLU . 2.0 m-85 -92.92 130.56 38.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.949 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 34.4 p -125.52 173.84 8.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.54 -36.17 83.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.548 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 23.3 m -53.44 -36.63 61.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -74.62 -34.95 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD13 ' HB2' ' A' ' 20' ' ' ALA . 95.4 mt -52.05 109.01 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -45.46 115.95 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 119.93 -35.08 3.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.548 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.4 t80 -41.23 -60.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.0 t -51.41 -27.17 9.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD12 ' HA2' ' A' ' 88' ' ' GLY . 54.0 mt -82.37 -39.47 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.55 HD21 ' HA ' ' A' ' 21' ' ' GLU . 71.7 mt -49.39 148.3 2.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.7 132.93 52.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.124 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 8.6 m -33.67 -66.07 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.179 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' THR . 12.4 pt-20 -37.62 -46.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 71.5 m-20 -71.64 -51.07 25.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.4 mtpt -38.88 -57.71 1.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -51.03 -49.32 60.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -44.39 -46.4 9.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.067 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 60.8 mt -68.66 -47.9 65.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -44.32 -49.61 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -55.68 -53.28 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -57.13 -50.3 73.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.3 mt -111.61 81.87 3.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -4.18 13.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.36 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 93.94 -102.76 2.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.6 m -101.01 137.64 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.956 0.407 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -170.41 136.64 1.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 85.2 p -132.66 110.2 10.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 2.5 pp20? -99.66 39.8 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.28 -54.5 3.91 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp 43.58 40.9 3.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.789 0.328 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -96.17 102.26 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -121.53 163.14 19.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 170.11 90.7 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -164.5 135.8 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -157.57 177.76 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 13.7 p -154.21 140.83 12.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -152.26 155.55 37.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 125.67 109.02 1.69 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.5 t -135.28 134.14 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.123 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.34 141.36 38.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -133.29 144.76 49.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 85.0 t -83.3 137.09 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -120.05 92.58 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -129.01 159.74 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -126.61 148.56 49.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.67 156.39 16.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 9.5 t -121.09 174.78 6.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -125.45 101.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -174.25 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.709 2.272 . . . . 0.0 112.287 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.1 m -109.3 179.43 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -144.81 148.14 33.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.47 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -154.32 151.47 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 p -162.96 169.28 19.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.27 145.77 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.2 m -163.23 147.06 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -151.82 169.97 20.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.34 16.24 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -149.48 90.04 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.524 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.1 p -109.83 127.21 54.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.912 0.387 . . . . 0.0 110.9 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -80.43 -45.53 17.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.06 118.79 22.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.101 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -130.44 -34.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 59.96 50.78 6.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 85' ' ' GLN . 30.1 m -148.17 144.75 27.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.9 mt -74.39 114.39 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.73 -36.51 47.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.19 -42.08 98.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.438 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 29.4 m-85 -101.91 126.57 48.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.58 139.49 46.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.43 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.28 123.34 36.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -164.29 168.53 18.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -66.2 125.87 26.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -49.68 110.77 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -58.8 -50.62 73.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.0 p -132.07 150.24 52.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -84.06 39.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -96.86 -55.9 2.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.1 m -42.86 132.28 3.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.8 m -119.86 127.06 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 48.1 t -60.99 155.49 19.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -102.38 -26.1 13.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.34 -50.6 43.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 8.6 p -100.58 -20.68 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 8.6 mtm 65.33 50.71 1.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -132.47 138.04 47.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.86 140.74 23.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.401 HG12 ' NE2' ' A' ' 64' ' ' HIS . 68.4 mt -91.09 139.18 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.23 153.25 36.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.3 tttm -83.03 113.56 20.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.57 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.3 -39.98 2.63 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -57.44 130.42 46.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.856 0.36 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.6 t -42.71 138.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.547 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 37.6 ptt180 -139.63 172.1 13.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.2 mt -146.99 136.5 22.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 63.2 p -116.85 140.79 49.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -117.85 144.08 45.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.891 179.938 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 21.4 tttm -119.27 102.34 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -155.12 174.33 15.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.76 129.09 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -83.16 128.61 64.28 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -10.89 29.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -87.64 -42.04 12.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -128.07 83.88 64.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -33.34 16.71 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -46.61 -30.69 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.37 -44.13 25.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.64 -122.76 6.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.473 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.3 113.9 7.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.734 0.302 . . . . 0.0 110.878 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.662 HD12 ' HD3' ' A' ' 61' ' ' ARG . 29.4 pt -124.36 164.58 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -131.04 111.35 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.662 ' HD3' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -110.58 -178.93 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.547 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 62.2 m95 -138.36 137.0 36.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.3 m-85 -141.76 126.44 17.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.578 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -50.08 154.93 1.76 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.549 0.69 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.97 -38.54 31.56 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.711 2.274 . . . . 0.0 112.324 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.24 -40.46 70.6 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.2 m -71.79 -40.05 69.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -49.36 -42.97 43.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -67.09 -48.67 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -55.49 -46.99 76.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -100.52 32.49 3.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 13.8 ptt180 -67.98 -30.05 69.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 13.2 pt-20 -87.72 -50.1 6.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.9 -43.01 69.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.9 mt -67.38 -31.97 72.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.75 42.12 1.88 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -91.72 108.05 19.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -74.19 157.02 87.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.658 0.742 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -17.1 37.55 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.697 2.265 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.57 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 12.3 pt-20 -72.07 -22.78 61.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 12.6 m-85 -86.58 138.99 31.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.9 p -130.7 171.6 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.31 -33.45 74.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.089 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.3 p -66.12 -32.24 73.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.62 ' O ' HG23 ' A' ' 14' ' ' THR . 9.7 mt-30 -72.02 -31.27 66.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 83' ' ' ALA . 40.4 mt -51.11 129.97 25.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.404 ' HA ' HG21 ' A' ' 14' ' ' THR . 17.1 ttpp -63.4 108.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 103.93 33.23 4.12 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 37.7 t80 -81.99 -48.54 11.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 53.8 m -59.39 -33.66 71.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.6 mt -59.73 -36.35 76.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.506 HD13 HD12 ' A' ' 100' ' ' LEU . 78.6 mt -49.69 172.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 95' ' ' GLU . . . -91.26 131.76 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 93' ' ' ALA . 89.0 m -34.05 -33.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.6 tt0 -76.67 -48.19 19.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 93' ' ' ALA . 1.2 m-20 -63.53 -41.78 98.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -45.49 -58.68 3.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -51.83 -46.23 64.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.25 -41.05 26.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.506 HD12 HD13 ' A' ' 92' ' ' LEU . 93.4 mt -78.13 -33.04 50.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -66.36 -40.54 89.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 pttm -67.03 -25.56 66.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -87.06 -44.39 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.7 mt -110.65 88.5 7.86 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -11.82 31.67 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.397 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.89 -133.61 11.46 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.462 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -38.14 157.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.885 0.374 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -116.03 103.68 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.3 p -112.13 160.88 17.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 66.26 45.01 2.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -148.26 -174.66 20.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.59 157.19 23.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -120.25 149.6 42.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -164.94 139.01 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.69 -134.54 2.81 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.507 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.4 112.44 0.95 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.818 0.342 . . . . 0.0 110.845 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -91.17 91.22 8.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 88.4 t -90.25 138.72 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.73 138.08 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 145.49 -163.88 28.13 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.8 t 59.46 49.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -88.35 115.61 25.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 124' ' ' VAL . 26.4 mt-10 -106.31 44.95 1.0 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 123' ' ' GLU . 8.7 t 33.18 54.46 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.89 133.24 46.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -63.19 159.54 17.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.4 mttt -154.81 162.65 41.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -144.71 155.5 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 99.3 p -165.09 171.71 13.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -149.95 155.1 26.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.712 2.275 . . . . 0.0 112.361 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.6 m 47.84 41.65 14.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -94.04 158.8 15.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.492 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -126.5 161.86 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -143.86 154.03 42.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.82 96.95 0.25 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.1 p -130.5 138.61 50.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.838 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -149.76 131.39 14.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.85 -133.88 5.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.85 149.5 5.15 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -106.69 128.6 54.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -148.08 124.17 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.97 76.02 6.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -146.77 161.12 41.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -91.51 83.26 5.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.682 HG21 ' HG2' ' A' ' 87' ' ' LYS . 54.6 m -151.27 144.02 24.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.4 mt -83.14 96.04 8.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . -53.49 -56.13 21.44 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.486 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 0.4 OUTLIER -34.16 -44.56 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -102.0 148.34 25.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.97 140.47 18.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.91 135.04 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -173.01 167.02 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -70.61 125.97 28.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.84 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.88 136.71 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.107 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -82.08 -53.31 6.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.5 t -131.26 151.96 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.7 p-10 -81.09 49.04 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 28' ' ' SER . 54.6 mtm180 -103.69 -65.12 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 27' ' ' ARG . 72.7 m -35.98 144.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.2 m -132.63 127.75 35.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -62.2 153.74 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 23.6 mmmt -100.32 -33.45 10.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.48 -55.78 28.72 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.3 p -97.35 -6.11 34.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.4 mtt 52.62 51.3 16.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -133.6 146.17 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.47 159.16 5.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 64' ' ' HIS . 72.8 mt -108.74 127.32 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -65.44 140.87 58.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -70.52 113.89 8.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.84 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.71 -44.26 1.54 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.31 129.77 18.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 0.0 110.934 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.5 t -43.34 132.71 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 38.2 ptt180 -131.88 175.83 8.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.9 mt -146.35 139.04 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.576 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 59.7 p -121.5 152.56 39.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 75' ' ' LEU . 7.9 ttmm -138.9 110.62 7.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -81.25 117.26 21.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.433 ' C ' ' SD ' ' A' ' 48' ' ' MET . 4.8 ppp? -163.59 159.45 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.2 t -89.69 138.81 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -82.88 122.57 78.12 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.64 0.733 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -19.04 36.87 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -86.36 -39.33 16.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -122.63 77.37 47.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.633 0.73 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -4.45 14.04 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.648 2.232 . . . . 0.0 112.363 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -67.87 -43.1 80.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.6 mt -68.41 -54.86 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.79 -116.56 5.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.2 OUTLIER -79.46 113.71 17.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 16.5 pt -127.94 158.74 39.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.07 128.09 54.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -114.03 173.19 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.576 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 86.2 m95 -138.28 146.56 42.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 95.9 m-85 -154.39 125.71 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 35.4 m80 -52.93 151.5 8.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.812 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -48.06 -41.65 33.26 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.699 2.266 . . . . 0.0 112.314 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.07 -39.45 92.91 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.4 m -70.81 -38.45 73.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -53.95 -44.9 71.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.72 -54.21 30.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -47.01 -53.28 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -99.37 33.14 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -60.2 -44.69 94.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -75.98 -46.24 30.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -58.04 -47.12 84.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 46' ' ' LYS . 14.0 mt -60.37 -33.92 73.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.91 43.52 1.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.524 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.592 ' CE2' ' HB3' ' A' ' 81' ' ' TYR . 6.2 t80 -100.88 95.28 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 0.0 110.897 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -41.06 154.52 0.22 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 106' ' ' GLY . 53.7 Cg_endo -69.77 -28.07 25.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.687 2.258 . . . . 0.0 112.339 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -83.3 21.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.592 ' HB3' ' CE2' ' A' ' 77' ' ' PHE . 4.8 m-30 -107.0 137.05 45.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 p -131.36 171.26 13.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.75 -32.42 73.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.576 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 2.1 m -52.62 -42.24 64.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.522 ' O ' HG23 ' A' ' 14' ' ' THR . 87.2 mt-30 -64.72 -36.7 85.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.512 HD12 ' HA ' ' A' ' 83' ' ' ALA . 62.4 mt -52.47 126.98 21.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HG2' HG21 ' A' ' 14' ' ' THR . 10.1 mtpt -57.99 150.44 20.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 82.51 -38.24 2.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.521 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 84.5 t80 -35.7 -54.42 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.7 t -56.65 -40.19 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 88' ' ' GLY . 44.2 mt -66.86 -42.84 85.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 89' ' ' PHE . 65.5 mt -47.97 167.05 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.84 142.33 35.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.6 m -40.89 -53.4 2.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -43.93 -55.3 4.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.48 -52.39 64.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.433 ' HA ' ' CE1' ' A' ' 89' ' ' PHE . 21.7 mttt -41.29 -45.41 2.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -61.21 -50.45 73.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.96 -55.55 6.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 39.6 mt -53.15 -62.56 1.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -39.21 -55.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -49.64 -38.11 30.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -74.02 -38.92 63.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.81 94.06 11.67 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.661 0.743 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -13.41 34.61 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.725 2.283 . . . . 0.0 112.313 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 94.59 -112.9 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.451 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.5 m -55.8 156.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.912 0.387 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 109' ' ' SER . 25.1 tptt -115.71 145.59 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 108' ' ' LYS . 20.6 m -36.9 129.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -77.75 167.63 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -109.93 -176.0 20.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.5 mtpt -137.98 134.74 35.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.33 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? 51.58 42.25 29.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -87.34 158.38 19.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.98 -137.42 2.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.427 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -156.51 129.49 7.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -61.67 150.42 36.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 92.0 t -46.8 137.02 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -148.36 116.32 6.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -149.28 172.52 29.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.537 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 92.5 t -135.55 116.61 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.342 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -116.4 176.15 5.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -166.82 156.31 10.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 98.9 t -145.28 149.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.31 79.78 1.0 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -95.7 148.71 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.6 mmtp -56.79 88.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.12 153.28 21.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.931 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.4 t -174.91 169.78 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 161.96 128.05 0.92 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 134.13 27.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.342 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.9 m -114.19 163.1 15.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.816 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.5 m -113.21 -58.31 2.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.486 -179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -110.76 141.24 44.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -106.82 157.39 17.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.01 -157.84 9.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -156.15 139.77 15.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -171.06 153.02 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.51 35.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.71 106.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.0 p -118.66 154.82 32.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 110.85 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -175.01 111.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.22 98.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -132.56 144.4 50.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.08 87.64 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.668 HG23 ' O ' ' A' ' 85' ' ' GLN . 72.0 m -148.88 145.3 27.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.774 HD21 ' CD1' ' A' ' 81' ' ' TYR . 56.2 mt -53.34 134.88 39.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.48 -43.14 4.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.532 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -88.22 33.97 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 89.0 m-85 -156.93 135.59 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.29 155.92 36.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -147.29 130.63 16.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.17 154.08 2.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -51.6 131.68 29.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.676 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -59.58 137.68 57.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -80.25 -48.43 13.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.5 m -127.59 161.74 28.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -94.97 40.68 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 28' ' ' SER . 16.5 mmt180 -99.28 -59.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 27' ' ' ARG . 5.6 p -36.67 152.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.2 m -140.95 132.28 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.5 t -63.45 155.45 29.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.527 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 22.7 mmmt -103.03 -26.16 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.14 -51.85 31.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.485 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.0 p -99.19 -23.27 15.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 27.4 mmm 68.12 53.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -134.35 135.33 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.14 143.56 3.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.407 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.5 mt -97.75 122.26 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -63.77 145.22 56.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.5 tttt -71.66 115.95 11.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.676 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 114.06 -49.31 0.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -45.37 132.0 7.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.851 0.358 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -48.58 137.42 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.552 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 31.1 ptt180 -134.35 168.92 18.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD23 ' HB2' ' A' ' 20' ' ' ALA . 6.8 mt -141.12 138.1 33.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.565 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 54.5 p -127.81 150.41 49.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 36.1 tttp -140.88 112.34 7.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 3.6 ttmp? -74.49 117.86 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.15 173.18 14.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' C ' ' A' ' 57' ' ' GLY . 79.8 t -106.26 133.22 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.01 124.46 87.39 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.595 0.712 . . . . 0.0 110.844 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.35 30.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -94.23 -33.95 13.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.0 mttp -125.53 78.54 68.2 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 110.912 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -15.33 37.04 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.644 2.23 . . . . 0.0 112.34 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 24.9 pt20 -59.84 -40.36 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 16.3 mt -71.29 -51.95 21.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.554 ' C ' HG22 ' A' ' 49' ' ' VAL . . . 88.8 -125.17 7.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.48 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.478 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -69.61 124.91 25.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.86 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.604 HD12 ' CD ' ' A' ' 61' ' ' ARG . 14.1 pt -142.8 169.43 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.112 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -134.4 109.44 8.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.604 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -100.06 178.55 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.565 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 56.6 m95 -138.3 150.74 46.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 59.2 m-85 -154.7 132.88 11.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 33.7 m80 -57.88 152.3 38.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.593 0.711 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.04 -39.98 33.35 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.666 2.244 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.01 -34.04 75.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.7 m -75.35 -39.01 59.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.85 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -52.72 -45.17 66.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.3 t -64.96 -49.28 80.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -55.75 -53.18 59.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.93 30.56 2.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 19.6 ptt180 -63.72 -44.56 93.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 12.9 pt-20 -70.44 -44.43 67.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -57.07 -55.89 28.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.3 mt -57.13 -33.8 67.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.19 39.73 2.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 81' ' ' TYR . 21.8 t80 -91.28 95.02 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.852 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 56.0 mtt180 -61.64 153.56 70.16 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.618 0.723 . . . . 0.0 110.845 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 0.92 4.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.8 -23.35 25.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.774 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.7 m-85 -83.06 135.58 34.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 24.3 p -125.52 161.85 26.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' CD1' ' A' ' 89' ' ' PHE . . . -59.02 -31.48 68.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.572 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.8 m -57.68 -35.47 70.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.668 ' O ' HG23 ' A' ' 14' ' ' THR . 18.7 mt-30 -75.19 -37.22 61.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 39.9 mt -51.62 112.35 0.74 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.444 ' HG3' HG21 ' A' ' 14' ' ' THR . 39.4 mttt -46.38 135.62 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 96.87 -35.79 4.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.507 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.572 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 87.1 t80 -36.89 -59.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.3 t -50.62 -37.84 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 88' ' ' GLY . 66.8 mt -67.9 -42.68 80.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.527 HD13 ' OD2' ' A' ' 96' ' ' ASP . 77.4 mt -48.15 142.82 4.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -60.55 134.87 57.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.05 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 93' ' ' ALA . 90.2 m -33.34 -57.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 94' ' ' THR . 2.0 tt0 -35.67 -55.44 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 92' ' ' LEU . 9.7 t0 -69.09 -49.75 54.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.6 mtpt -34.89 -51.37 0.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -65.75 -49.33 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.09 -57.09 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.055 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 101' ' ' LYS . 36.0 mt -58.3 -57.18 14.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 100' ' ' LEU . 58.0 mttt -35.08 -53.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -49.8 -47.55 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 100' ' ' LEU . 8.6 mt-30 -66.39 -49.34 67.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.8 mt -115.09 74.88 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.602 0.715 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -9.08 25.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 110.77 -88.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 108' ' ' LYS . 2.3 t -101.02 150.57 5.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 111.087 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.401 ' N ' ' CG1' ' A' ' 107' ' ' VAL . 2.5 mmmm -83.71 -62.53 1.55 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 48.2 t -118.69 130.21 55.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.57 -45.07 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -53.49 -63.6 4.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -100.08 146.66 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 49.0 ttt85 -112.28 165.0 12.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -42.52 152.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -61.66 93.73 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -163.7 110.9 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.26 153.59 27.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.93 143.4 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -38.15 -41.47 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 140.52 59.27 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.451 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.9 t -102.29 88.25 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 111.16 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -71.4 162.57 29.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -63.48 135.3 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.2 p -57.73 136.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.37 126.06 25.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.7 147.42 15.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.9 130.51 43.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -102.0 143.75 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 63.1 m -75.66 144.63 41.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -97.27 171.65 27.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.452 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 171.43 14.56 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.4 t -114.93 138.44 50.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.6 p -94.74 176.16 6.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.491 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 m -91.15 109.66 20.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.91 0.386 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.5 p -149.48 116.26 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.842 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.38 89.67 1.62 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -126.26 127.38 45.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -122.09 139.1 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 57.82 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.79 -139.18 3.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.508 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -167.22 137.32 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.953 0.406 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -128.93 132.33 47.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.869 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.88 139.02 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -142.2 171.14 14.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -133.01 94.92 3.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.5 m -143.76 151.93 40.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.146 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.13 122.79 29.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.01 -50.62 4.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.476 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -47.7 -41.05 21.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -102.56 139.82 37.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -154.55 135.62 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.062 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' HB1' HD11 ' A' ' 92' ' ' LEU . . . -111.44 131.62 55.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.074 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' HG3' ' C ' ' A' ' 20' ' ' ALA . 3.6 mt-10 -154.24 -176.21 5.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -96.22 135.82 37.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' O ' ' C ' ' A' ' 24' ' ' LYS . . . -65.66 80.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 23' ' ' ALA . 45.2 tttp -34.34 -45.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 95.3 p -135.81 156.1 49.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -85.06 38.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -91.11 -59.52 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -46.1 146.77 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 27.2 m -133.96 132.97 40.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.162 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.1 t -66.0 149.0 50.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -99.41 -23.37 15.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -68.27 -41.98 84.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.6 p -109.94 -18.8 13.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 4.3 mmt 66.81 46.78 1.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -132.2 140.86 48.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' HD2' ' N ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -49.29 152.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.429 HG12 ' NE2' ' A' ' 64' ' ' HIS . 71.7 mt -105.25 99.34 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -38.26 154.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.5 tttp -80.13 137.28 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.37 -33.92 3.76 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -55.44 135.61 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.372 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 92' ' ' LEU . 37.9 t -53.47 139.52 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -135.79 161.2 36.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.0 mt -131.33 132.86 44.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.572 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 24.6 p -108.69 151.92 25.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' HD2' HD22 ' A' ' 75' ' ' LEU . 44.1 tttm -138.01 112.02 8.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -75.28 114.68 14.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.414 ' N ' ' HE1' ' A' ' 58' ' ' MET . 5.6 ptm -164.55 161.64 21.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.5 132.05 36.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -75.39 126.79 87.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.42 37.56 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -82.51 -37.27 25.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -126.97 80.38 71.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -0.08 6.39 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.41 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -84.85 -46.78 11.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.2 mt -51.92 -53.89 35.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 101.68 -137.38 13.28 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -67.87 118.21 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 pt -123.95 169.48 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.78 111.01 16.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.919 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.591 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 8.8 mmp_? -96.0 173.51 7.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.572 ' CZ3' ' HB3' ' A' ' 45' ' ' SER . 97.4 m95 -138.74 146.63 41.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.591 ' CE1' ' HB3' ' A' ' 61' ' ' ARG . 7.8 m-85 -157.04 140.26 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 23.0 m80 -68.35 151.68 97.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.549 0.69 . . . . 0.0 110.882 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.95 -40.23 32.86 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.713 2.275 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.1 94.49 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.6 m -68.94 -44.12 73.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -46.57 -35.05 5.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.4 t -76.81 -38.29 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -55.2 -49.53 71.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -107.35 34.92 3.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 ptt-85 -59.54 -38.49 81.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -81.57 -47.51 12.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.04 -44.45 87.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.464 HD22 ' HD2' ' A' ' 46' ' ' LYS . 35.5 mt -61.16 -35.93 78.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.67 37.82 1.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.46 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -88.52 124.92 34.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.815 0.341 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.1 mtp85 -87.08 156.02 54.89 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.568 0.699 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 1.32 4.5 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -98.13 -26.52 14.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.7 m-30 -80.14 119.67 23.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 83.2 p -120.73 177.86 4.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.839 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.72 99.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.429 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 46.4 t -56.98 -21.92 34.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -83.76 -33.66 24.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 mt -52.45 138.23 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 88' ' ' GLY . 34.5 mtpt -62.62 155.33 26.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 87' ' ' LYS . . . 35.87 39.83 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.429 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 12.4 t80 -83.03 -43.11 16.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.3 t -64.0 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.6 mt -68.05 -31.76 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 42' ' ' VAL . 91.6 mt -54.1 155.23 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.83 132.31 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.7 m -39.59 -53.11 2.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.168 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -43.64 -53.0 6.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -63.54 -43.31 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -51.7 -60.9 2.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.3 mt-10 -41.04 -40.61 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.98 -46.05 86.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.06 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.18 -36.12 79.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.97 -46.95 64.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.9 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -68.7 -44.69 73.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -63.75 -45.42 89.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.52 81.21 1.76 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.726 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -15.67 37.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.332 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.476 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 103.06 -139.5 14.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 106' ' ' GLY . 1.1 t -31.75 125.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -76.76 -36.11 57.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.4 t 72.25 37.82 0.92 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.887 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.04 153.16 32.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -127.95 96.19 0.42 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -161.85 131.23 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.767 0.317 . . . . 0.0 110.904 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 -89.19 98.74 11.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -73.4 -44.34 58.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 152.37 162.61 11.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.514 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -99.75 161.64 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -121.61 148.23 44.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -94.46 113.8 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -78.08 137.9 38.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.37 164.97 38.66 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.58 145.9 34.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.803 0.335 . . . . 0.0 111.096 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -43.93 104.84 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 124' ' ' VAL . 15.3 pt-20 -115.48 142.94 46.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 124' ' ' VAL . 20.7 t 35.17 48.59 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -112.0 130.17 55.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -41.96 160.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.98 98.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 173.18 8.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 8.6 t -49.86 107.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.819 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -165.23 -82.83 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.83 11.46 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.334 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 133' ' ' SER . 30.5 p -157.44 140.38 15.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.811 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 132' ' ' SER . 74.8 p -36.92 116.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.466 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -141.16 166.19 25.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -171.47 145.29 2.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.91 135.87 1.89 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -157.4 141.11 15.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -146.5 167.36 23.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.25 177.4 31.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.53 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -148.96 162.28 28.89 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.9 p -138.61 132.45 31.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.922 0.391 . . . . 0.0 110.89 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -154.35 134.23 13.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.93 41.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -103.25 175.81 5.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -91.66 42.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.673 HG21 ' HA ' ' A' ' 87' ' ' LYS . 2.9 m -107.58 132.33 53.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD13 ' CD2' ' A' ' 18' ' ' PHE . 50.5 mt -45.68 161.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -102.18 -48.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -91.95 39.8 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 86.0 m-85 -155.21 127.93 8.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -138.93 155.86 47.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.575 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -148.71 123.26 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -171.31 166.87 7.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -61.71 128.78 37.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . . . -40.67 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -51.89 -40.56 60.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -134.99 162.07 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.01 48.6 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -122.46 -11.03 8.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.428 ' HB2' HD12 ' A' ' 37' ' ' ILE . 3.1 p -75.25 153.36 38.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.8 m -135.53 129.24 32.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 49.6 t -68.02 123.0 19.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -81.71 -22.55 37.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.5 97.52 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.5 p -126.6 27.19 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.874 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm 40.64 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 29' ' ' THR . 2.0 mm-40 -104.27 166.93 10.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CD ' ' H ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -101.43 133.35 46.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.428 HD12 ' HB2' ' A' ' 28' ' ' SER . 24.9 mt -92.43 130.85 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 23' ' ' ALA . 28.0 mp0 -87.1 166.13 15.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . 24.0 tttm -89.11 127.59 35.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.87 -29.07 9.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -78.87 140.1 38.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.877 0.37 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -55.73 134.44 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.558 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 33.6 ptt180 -137.68 170.03 16.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.575 HD23 ' HB2' ' A' ' 20' ' ' ALA . 7.9 mt -140.68 144.61 35.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.488 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.7 p -129.63 160.88 31.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 23.3 tttm -142.53 118.05 10.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.4 tttp -71.83 113.11 8.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.1 ptm -164.21 163.39 22.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.57 150.64 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -89.71 123.44 66.44 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.617 0.723 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.03 37.38 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.73 2.287 . . . . 0.0 112.343 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.09 -49.33 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtmm -115.23 82.05 8.77 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -26.2 27.8 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.647 2.232 . . . . 0.0 112.331 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -52.15 -33.4 40.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.6 mt -73.49 -51.65 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.54 -124.81 8.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 61.8 mmm -72.78 125.63 27.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.769 0.319 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD12 ' HD3' ' A' ' 61' ' ' ARG . 6.7 pt -139.46 166.64 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -120.51 110.8 16.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HD3' HD12 ' A' ' 59' ' ' ILE . 28.3 mmm180 -101.08 170.58 8.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.6 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 30.7 m95 -135.51 151.34 50.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.959 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.6 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 3.6 m-85 -153.33 159.9 42.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.966 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -75.94 149.26 82.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.536 0.684 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -47.96 -36.24 26.97 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.376 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.64 -33.25 52.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -78.81 -26.47 44.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 44' ' ' LEU . 26.2 t80 -65.95 -35.51 80.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -77.21 -52.64 16.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttm -49.31 -38.14 26.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -111.47 34.04 4.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -68.85 -41.04 79.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.59 -47.88 37.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -57.34 -51.41 69.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.3 mt -54.6 -35.8 63.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.32 35.42 1.32 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 6.1 t80 -94.19 104.3 16.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.339 . . . . 0.0 110.888 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -60.25 150.88 70.16 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -3.57 12.27 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -99.14 19.89 14.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 77' ' ' PHE . 20.8 m-85 -116.93 152.49 34.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 p -131.79 -179.67 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.861 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -87.06 -20.68 26.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 82.2 p -74.73 -4.69 39.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -107.91 21.13 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 18' ' ' PHE . 75.4 mt -96.16 134.62 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.673 ' HA ' HG21 ' A' ' 14' ' ' THR . 24.3 mtmt -57.38 111.35 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 91.35 28.7 13.98 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 34.3 t80 -81.12 -44.52 17.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.6 t -63.78 -17.02 62.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.3 mt -79.24 -38.38 35.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.4 mt -50.63 156.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -74.48 130.62 39.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.439 ' C ' ' O ' ' A' ' 93' ' ' ALA . 12.3 m -34.0 -48.67 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.179 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -46.86 -49.19 20.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 93' ' ' ALA . 13.7 m-20 -74.87 -48.56 24.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 17.3 mtpt -38.15 -47.86 1.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.28 -45.54 90.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.66 -60.34 2.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.33 -53.42 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -46.06 -46.69 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -65.09 -48.27 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -58.47 -36.47 73.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.861 HD12 ' HB2' ' A' ' 83' ' ' ALA . 8.6 mt -111.56 79.67 2.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 2.39 3.55 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.722 2.281 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.33 -89.61 1.11 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 t -100.93 148.94 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -175.01 143.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 t -84.9 132.81 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -115.35 -67.72 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 168.65 -137.27 4.48 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -128.5 148.83 50.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -135.87 168.32 19.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -169.67 111.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.44 -165.05 34.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -170.21 175.41 4.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' CD ' ' O ' ' A' ' 117' ' ' GLU . 2.9 pp20? -161.95 117.94 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.1 t -112.08 129.83 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.157 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -158.36 162.41 37.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -145.11 162.67 28.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.447 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -97.94 149.0 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 0.0 111.179 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.29 -175.56 5.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -151.75 108.94 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 2.1 p -145.2 133.35 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.3 141.38 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 54.99 44.3 28.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -51.49 123.84 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -38.07 147.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.6 m -68.88 161.41 28.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 112.96 73.11 0.62 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -176.45 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.72 2.28 . . . . 0.0 112.37 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.3 m -92.41 96.7 10.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.7 p -98.24 167.71 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.077 -0.846 . . . . 0.0 112.453 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 p -156.22 163.1 39.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 p -155.49 170.6 21.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.827 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.01 61.39 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.445 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m -112.41 155.18 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -166.12 158.14 14.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.89 -173.34 13.96 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.65 -123.52 1.74 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.3 t -142.75 148.84 37.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.932 0.396 . . . . 0.0 110.883 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.64 99.07 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -41.9 142.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.106 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -125.7 -39.39 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -121.51 47.08 1.92 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.7 m -145.99 143.06 29.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.769 HD11 ' CD1' ' A' ' 81' ' ' TYR . 30.6 mt -89.09 115.54 26.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.25 -52.09 11.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.458 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 31.2 p-10 -38.55 -41.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.868 0.366 . . . . 0.0 110.822 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 82.2 m-85 -102.79 134.09 46.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.71 130.22 16.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.103 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -126.26 115.71 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.682 ' HA ' HD21 ' A' ' 92' ' ' LEU . 0.9 OUTLIER -156.64 175.22 14.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -73.95 115.3 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.87 113.66 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.8 tttt -58.96 -43.3 91.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.1 t -136.55 159.98 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.7 p30 -83.77 43.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.7 mtm-85 -110.23 42.11 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.649 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.8 m -134.55 146.46 49.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.781 HG23 ' O ' ' A' ' 35' ' ' GLU . 94.5 m -137.99 130.2 28.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 41.8 t -70.55 125.55 27.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -80.44 -25.97 38.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.98 -50.36 66.38 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.408 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -118.79 27.33 8.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.884 0.374 . . . . 0.0 110.907 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.408 ' C ' ' O ' ' A' ' 33' ' ' CYS . 31.0 mtm 37.31 39.66 0.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.781 ' O ' HG23 ' A' ' 29' ' ' THR . 5.1 mm-40 -99.56 169.64 9.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.95 131.02 48.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.649 HD12 ' HB3' ' A' ' 28' ' ' SER . 22.3 mt -87.57 118.1 32.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -70.47 166.98 19.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -82.59 129.49 34.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.65 -42.76 1.98 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 -53.42 124.52 15.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.447 HG21 ' OD1' ' A' ' 96' ' ' ASP . 53.8 t -43.08 126.27 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.636 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 33.4 ptt180 -131.57 146.14 52.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 20' ' ' ALA . 9.9 mt -117.97 122.65 43.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.522 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 52.3 p -100.92 137.39 39.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.573 ' HG2' HD22 ' A' ' 75' ' ' LEU . 8.3 tptt -121.0 136.65 54.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 45.6 tttt -82.48 104.58 12.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.2 ptm -163.67 149.5 11.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.62 145.1 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.152 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -65.11 123.72 84.79 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -12.09 32.36 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.378 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -94.23 -34.1 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -134.42 80.45 51.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.711 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -14.0 35.4 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -59.38 -22.08 60.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.9 mt -84.83 -46.34 11.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.59 -134.9 11.99 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -63.42 130.22 43.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.75 0.309 . . . . 0.0 110.875 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.457 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.3 pp -150.18 141.08 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -88.9 128.24 35.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -126.6 177.99 6.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.636 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 29.8 m95 -139.1 141.91 38.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 1.3 m-85 -137.57 174.07 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -88.42 144.69 34.23 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.611 0.72 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 44' ' ' LEU . 65.7 Cg_exo -48.02 -38.46 31.76 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.632 2.222 . . . . 0.0 112.344 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.61 -37.36 46.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.504 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -75.02 -25.34 58.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.518 ' CE1' HD13 ' A' ' 75' ' ' LEU . 41.0 t80 -66.55 -42.15 87.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 103' ' ' GLN . 48.3 t -66.21 -48.07 82.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -52.83 -43.34 65.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -105.48 32.21 4.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' GLU . 18.6 ptt180 -62.71 -50.32 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' ARG . 8.1 pt-20 -63.59 -46.03 87.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.69 -52.3 64.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.84 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD22 ' HG2' ' A' ' 46' ' ' LYS . 25.5 mt -55.29 -27.71 48.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.42 42.82 2.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -105.62 106.39 16.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -66.99 154.3 92.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 0.0 110.85 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -24.23 29.91 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.674 2.25 . . . . 0.0 112.384 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -65.45 -14.97 62.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.769 ' CD1' HD11 ' A' ' 15' ' ' LEU . 23.5 m-85 -93.03 138.82 31.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.0 p -125.35 166.84 15.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -49.25 -31.05 8.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.081 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.564 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 3.1 t -64.01 -35.62 81.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.434 ' HB3' HD12 ' A' ' 15' ' ' LEU . 12.7 mm100 -67.95 -29.25 68.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.942 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 HD13 HD21 ' A' ' 44' ' ' LEU . 81.4 mt -59.08 118.64 6.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -53.83 122.96 11.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 107.61 -34.67 5.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 88.1 t80 -34.88 -65.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.889 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.9 m -46.21 -35.77 5.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 88' ' ' GLY . 59.8 mt -72.96 -36.87 67.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 21' ' ' GLU . 85.2 mt -55.05 144.85 22.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.7 151.14 30.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 68.5 m -49.02 -59.47 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -40.42 -44.01 1.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.593 ' OD2' HD13 ' A' ' 92' ' ' LEU . 13.2 t0 -68.6 -50.7 49.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 23.8 mttt -42.61 -53.83 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.76 -44.31 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.03 -41.38 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.1 mt -74.05 -53.62 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -39.23 -42.39 0.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 68.5 mttt -59.5 -53.92 52.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.465 ' HB3' HG21 ' A' ' 69' ' ' VAL . 15.1 mm100 -61.94 -49.98 73.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -113.29 77.36 2.92 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -23.26 31.34 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.351 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 121.74 -165.0 14.71 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 106' ' ' GLY . 1.2 t -32.04 117.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 111.105 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -97.16 38.38 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 t -44.74 -53.49 7.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -64.57 113.91 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -162.19 -131.06 1.18 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -128.69 154.12 46.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.36 -179.99 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -119.11 -43.83 2.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -141.57 135.31 6.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.95 117.79 24.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -120.3 84.62 2.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.8 p -68.28 139.72 20.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.8 80.83 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -88.97 80.13 1.59 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 97.6 t -109.9 94.82 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -49.62 138.65 13.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.75 155.47 46.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 125' ' ' ALA . 54.3 t -48.2 156.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.179 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.47 ' N ' HG12 ' A' ' 124' ' ' VAL . . . -58.14 137.58 56.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -134.52 148.01 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.56 141.44 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -102.74 141.34 35.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.1 t -70.75 146.04 50.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.884 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -61.25 159.12 29.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -179.81 3.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.671 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 70.2 m -103.23 175.92 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.2 m -85.56 171.5 11.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.493 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 p -126.3 170.51 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.811 0.338 . . . . 0.0 110.866 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -99.5 166.25 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.84 98.39 1.04 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.2 m -146.15 136.79 24.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 110.88 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 39.67 50.65 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.08 98.92 0.25 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.8 166.85 11.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.457 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 p -164.02 160.53 21.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.827 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.2 mttp -97.6 155.67 16.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.81 176.53 4.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -124.58 -38.2 2.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.23 3.92 9.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 m -101.35 152.27 20.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.587 HD11 ' CD1' ' A' ' 81' ' ' TYR . 15.1 mt -102.02 129.99 48.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.07 -49.43 8.59 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.473 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -44.77 -44.01 9.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.826 0.346 . . . . 0.0 110.838 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 50.4 m-85 -104.82 133.62 49.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.07 131.53 15.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.79 132.71 56.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.114 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -173.89 160.18 3.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.13 129.67 41.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -47.03 127.33 10.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.131 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 25' ' ' SER . 11.5 ptpt -73.35 -31.67 64.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 58.5 m -138.6 163.86 30.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.469 ' N ' ' HB2' ' A' ' 39' ' ' LYS . 1.4 p30 -100.34 35.08 2.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 28' ' ' SER . 31.4 mmt180 -112.18 -60.71 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 27' ' ' ARG . 49.6 m -33.76 110.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.4 m -95.42 138.88 32.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.518 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.3 t -62.38 154.27 28.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' CE2' ' A' ' 63' ' ' TYR . 24.9 tptt -100.94 -31.93 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -61.26 -69.68 1.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.6 p -84.12 -19.75 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 3.7 mmm 67.9 49.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -129.08 134.57 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -39.53 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.602 HG23 ' OE1' ' A' ' 41' ' ' GLN . 55.4 mt -129.21 123.14 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.51 154.06 41.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' HB2' ' N ' ' A' ' 26' ' ' ASN . 49.9 tttt -87.05 106.14 17.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.651 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 132.11 -31.92 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.602 ' OE1' HG23 ' A' ' 37' ' ' ILE . 3.9 pt20 -65.87 145.57 55.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.8 t -62.11 125.94 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.677 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 39.6 ptt180 -126.78 177.71 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt -146.69 126.24 13.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.53 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 86.9 p -107.82 160.0 16.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.505 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 38.7 tttm -144.57 112.86 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -77.09 106.96 9.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.0 ptm -154.71 159.58 40.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.5 t -87.25 123.55 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -72.36 121.73 85.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -10.07 27.67 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.652 2.235 . . . . 0.0 112.306 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -92.01 -44.63 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -124.44 83.44 57.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.598 0.713 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -27.69 26.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.704 2.269 . . . . 0.0 112.348 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 55' ' ' GLN . 2.8 mm100 -39.97 -47.23 2.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -77.03 -35.22 57.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.32 -122.3 9.55 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.49 ' HA ' ' HE3' ' A' ' 58' ' ' MET . 0.0 OUTLIER -64.19 111.19 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 25.9 pt -124.5 173.72 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -131.11 107.74 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -102.94 171.44 7.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.677 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 70.4 m95 -133.02 144.02 49.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 0.2 OUTLIER -147.49 146.1 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 13.1 m80 -69.63 152.65 96.15 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -47.99 -29.41 11.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.29 -35.2 43.52 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.542 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 32.7 m -75.65 -23.06 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG21 ' OE1' ' A' ' 103' ' ' GLN . 47.7 t -68.1 -56.28 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -54.49 -44.3 72.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -102.06 32.66 3.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 10.6 ptm180 -70.1 -41.27 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 30.1 mm-40 -79.84 -47.16 15.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -55.1 -53.38 56.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 mt -52.91 -31.91 42.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.99 37.67 2.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.471 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 7.5 t80 -89.24 128.35 35.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.94 153.45 40.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.625 0.726 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 0.05 6.21 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.675 2.25 . . . . 0.0 112.346 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.487 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 16.4 pt-20 -85.16 -15.67 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.587 ' CD1' HD11 ' A' ' 15' ' ' LEU . 15.5 m-85 -106.96 136.87 46.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 72.5 m -128.78 167.53 17.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -48.75 -31.1 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -66.27 -34.26 77.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -69.82 -26.27 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.94 135.24 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -66.12 138.79 57.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 60.59 37.82 94.0 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -84.84 -42.19 15.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.907 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.1 m -68.37 -22.57 64.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 44.3 mt -75.52 -27.42 58.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.93 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.14 169.45 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.403 ' O ' ' OD1' ' A' ' 96' ' ' ASP . . . -79.41 129.16 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 85.9 m -41.14 -36.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -47.76 -44.04 27.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 93' ' ' ALA . 0.2 OUTLIER -85.58 -38.39 18.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -44.07 -52.96 6.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.67 -43.3 97.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -56.49 -50.9 70.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.68 -41.3 94.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -58.02 -36.65 73.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -78.49 -48.45 15.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.508 ' OE1' HG21 ' A' ' 69' ' ' VAL . 5.4 mt-30 -57.93 -48.68 79.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -111.73 84.77 5.57 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.16 13.48 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.368 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.29 -101.28 2.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.7 m -74.4 153.12 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.3 ttmm -144.09 121.1 11.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -123.18 176.09 6.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -123.92 113.85 19.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -143.73 88.71 0.17 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 113' ' ' ARG . 12.3 ptmt -133.22 178.08 7.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.311 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 112' ' ' LYS . 10.8 mtp180 33.93 54.48 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -76.29 141.1 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 116' ' ' ASP . . . 147.63 -54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.442 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 115' ' ' GLY . 8.3 m-20 -36.8 134.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -50.65 138.3 18.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' VAL . 12.1 p -59.05 123.52 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -60.53 152.0 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -45.94 147.06 2.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.525 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.4 p -110.82 146.39 15.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.89 165.12 7.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' VAL . 0.8 OUTLIER -93.62 170.07 9.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.657 HG12 ' O ' ' A' ' 124' ' ' VAL . 42.8 t 34.8 44.88 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.124 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -76.13 145.14 40.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.106 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 17.3 tptm -89.55 118.33 29.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.3 ttpt -102.35 145.34 29.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -133.26 162.0 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.2 t -60.93 -53.21 60.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 96.52 69.38 1.0 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 177.83 5.16 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.665 2.243 . . . . 0.0 112.37 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.2 m -117.37 121.33 40.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.3 m -141.02 171.23 14.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.085 -0.842 . . . . 0.0 112.533 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.2 p -119.92 124.3 45.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 110.818 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -127.96 123.01 33.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.882 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.74 87.14 0.38 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -145.06 150.99 37.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.0 p -48.99 -53.15 21.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.1 -150.89 18.74 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.531 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 127.16 135.16 4.09 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.426 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.7 m -130.08 108.88 10.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -92.36 99.25 12.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -166.0 140.77 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -113.24 -38.02 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -128.55 59.15 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 m -136.62 148.4 47.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.1 mt -89.2 123.33 33.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.2 -45.35 7.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -57.3 -41.14 79.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 82.7 m-85 -102.57 141.31 35.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.13 138.61 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.707 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -127.32 127.63 44.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.97 178.67 7.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -72.99 127.67 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.32 91.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.123 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.7 mtmt -40.12 -50.02 2.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 m -130.37 162.86 28.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -96.49 46.9 1.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -100.78 -49.96 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -48.03 145.59 2.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 m -135.71 127.68 29.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.1 t -64.04 150.38 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -98.14 -29.42 13.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.1 -53.42 40.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.5 p -98.15 -9.57 25.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 14.8 mtt 56.37 48.04 17.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -131.85 142.91 49.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.66 152.08 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.414 HG12 ' NE2' ' A' ' 64' ' ' HIS . 40.1 mt -103.14 112.97 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -50.75 151.48 2.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.9 tttm -77.9 132.05 37.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.3 -40.63 2.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -53.72 133.54 41.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.8 t -47.55 141.84 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.571 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 32.5 ptt180 -139.09 173.36 11.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD23 ' HB2' ' A' ' 20' ' ' ALA . 8.2 mt -147.94 125.82 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.467 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 85.6 p -108.89 155.38 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HG3' ' CE1' ' A' ' 18' ' ' PHE . 47.5 tttm -144.56 126.13 15.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.886 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -83.5 117.34 23.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.6 ptm -164.19 171.42 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 86.8 t -100.22 134.04 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -74.95 127.86 86.11 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.14 37.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -85.02 -47.1 10.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -123.57 82.89 53.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.616 0.722 . . . . 0.0 110.922 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 -5.58 16.5 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.706 2.271 . . . . 0.0 112.335 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -65.77 -45.02 84.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.02 -47.94 83.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.81 -120.9 6.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -76.24 103.78 6.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.77 0.319 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.0 pt -117.32 160.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -113.73 115.71 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -107.54 173.1 6.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.571 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 67.0 m95 -134.77 154.34 51.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.463 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 81.5 m-85 -157.95 126.15 5.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 34.9 m80 -53.98 153.14 9.29 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.583 0.706 . . . . 0.0 110.846 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.97 -39.73 32.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.87 -35.22 65.58 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -76.89 -29.72 55.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.858 0.361 . . . . 0.0 110.87 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -66.67 -39.28 88.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.492 HG13 HH21 ' A' ' 72' ' ' ARG . 98.2 t -70.35 -52.73 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.088 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -58.22 -47.57 83.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -92.88 22.32 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.492 HH21 HG13 ' A' ' 69' ' ' VAL . 5.7 ptp85 -63.13 -19.28 64.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -82.45 -67.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.2 OUTLIER -41.59 -53.52 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 77.5 mt -56.77 -36.04 69.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.34 43.92 3.89 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.559 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.477 ' CZ ' ' O ' ' A' ' 81' ' ' TYR . 49.2 t80 -80.14 94.88 6.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 mtt180 -53.04 148.18 14.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.562 0.696 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -1.61 8.73 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -88.1 -23.3 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.477 ' O ' ' CZ ' ' A' ' 77' ' ' PHE . 20.1 m-85 -87.68 118.09 26.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 78.4 p -114.8 173.89 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.522 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -62.8 -37.18 85.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.123 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 27.5 p -55.32 -39.31 69.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -76.18 -35.62 59.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 83' ' ' ALA . 49.8 mt -50.69 112.52 0.71 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.5 tttt -41.71 151.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 81.54 -36.0 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.88 ' HA ' HD12 ' A' ' 92' ' ' LEU . 72.5 t80 -34.39 -54.17 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.894 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -42.89 97.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 88' ' ' GLY . 56.9 mt -61.19 -43.66 98.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.88 HD12 ' HA ' ' A' ' 89' ' ' PHE . 19.0 mt -48.56 177.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -92.81 138.11 31.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.0 m -38.61 -50.72 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -46.8 -55.87 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.575 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.3 m-20 -61.94 -46.98 86.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 24.4 mttp -41.43 -62.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -51.02 -40.86 59.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -48.56 -54.93 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.3 mt -64.49 -48.75 74.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -39.55 -48.39 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -62.04 -46.94 86.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -59.28 -48.39 81.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.968 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.5 mt -122.01 86.87 46.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -23.21 31.23 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.713 2.275 . . . . 0.0 112.36 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 104.05 -111.7 3.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.95 138.73 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.939 0.399 . . . . 0.0 111.132 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.37 140.4 30.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.8 t -112.1 -50.78 2.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -74.61 151.25 39.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 108.81 -55.69 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.461 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 42.3 pttt -155.4 143.78 20.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.811 0.339 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -69.39 157.87 36.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -124.35 39.36 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 124.57 162.41 11.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.99 107.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.86 130.69 43.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 p -44.14 144.34 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -149.49 163.31 38.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 132.65 144.54 5.28 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -112.73 101.46 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -49.56 161.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -124.25 174.77 7.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 8.3 p -106.17 145.17 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 126' ' ' LYS . . . -165.62 150.78 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.093 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 125' ' ' ALA . 17.6 tptt -36.0 108.49 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -171.64 149.12 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -159.59 138.05 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.5 p -161.53 169.91 20.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 103.45 70.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 129.86 18.34 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 2.266 . . . . 0.0 112.341 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.8 p -106.33 86.33 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.3 m -123.79 147.78 47.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.429 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.43 -0.268 . . . . 0.0 112.43 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -174.74 167.55 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.917 0.389 . . . . 0.0 110.813 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.5 p -169.17 174.71 6.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.811 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.64 151.57 6.94 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -163.33 167.9 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -171.58 164.17 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.91 -174.98 27.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.55 -163.53 11.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.7 t -162.02 116.2 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.426 . . . . 0.0 110.813 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -163.56 131.88 3.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.13 105.83 17.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.141 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -135.27 172.98 12.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.59 47.32 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 m -137.75 146.55 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.6 mt -76.47 119.62 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.03 -39.0 13.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -61.96 -43.13 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.807 0.337 . . . . 0.0 110.894 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.426 ' HB3' ' CD2' ' A' ' 86' ' ' LEU . 56.9 m-85 -101.62 138.15 39.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.76 134.12 15.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.113 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.7 121.07 39.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.904 ' HA ' HD21 ' A' ' 92' ' ' LEU . 15.0 pt-20 -158.89 167.87 28.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -68.18 133.28 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.967 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.725 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -44.45 141.39 1.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.9 tptt -88.95 -46.58 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 59.9 p -133.83 160.43 37.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -93.29 39.43 1.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -104.78 -54.51 2.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 t -43.22 153.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.476 HG23 ' C ' ' A' ' 35' ' ' GLU . 24.2 m -144.76 125.1 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 52.5 t -61.05 155.86 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -102.47 -29.44 11.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.26 -45.42 95.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.7 p -105.73 -19.11 13.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.805 0.336 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 59.5 mtm 63.85 53.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.476 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -136.63 137.19 39.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 138.28 26.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.439 HG12 ' NE2' ' A' ' 64' ' ' HIS . 79.2 mt -86.16 117.0 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -62.22 135.01 57.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -65.76 120.01 12.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.725 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 112.18 -41.84 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -56.4 134.92 54.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.93 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.0 t -47.16 147.73 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.559 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 21.1 ptt180 -156.0 162.83 40.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 HD23 HD13 ' A' ' 86' ' ' LEU . 3.8 mp -132.47 153.43 50.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.521 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 28.5 p -131.28 144.78 51.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.8 ttpp -131.43 121.53 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -74.22 116.31 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.7 ptm -161.28 161.06 30.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG13 ' HA2' ' A' ' 57' ' ' GLY . 93.4 t -97.99 139.26 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.178 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 40.7 t0 -81.76 124.45 79.52 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.613 0.72 . . . . 0.0 110.892 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -26.99 26.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.627 2.218 . . . . 0.0 112.35 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -74.9 -47.14 31.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.4 mtpt -118.24 81.99 17.73 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.536 0.684 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -16.84 37.88 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.717 2.278 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -52.41 -45.34 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.4 mt -72.19 -50.77 24.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' HA2' HG13 ' A' ' 49' ' ' VAL . . . 86.58 -119.79 5.27 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.43 ' HE3' HG23 ' A' ' 49' ' ' VAL . 0.9 OUTLIER -66.8 116.19 7.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.729 0.299 . . . . 0.0 110.897 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 14.4 pt -132.55 171.5 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -119.03 117.12 27.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' NH2' ' OD2' ' A' ' 50' ' ' ASP . 12.2 mmt180 -100.21 167.06 10.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.559 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 97.8 m95 -136.54 136.43 39.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -144.78 123.65 12.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 49.5 m80 -48.58 148.92 3.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.572 0.701 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -47.99 -38.66 31.96 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.388 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.23 -34.85 60.82 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.3 m -75.97 -38.11 57.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -53.04 -41.69 65.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.56 -48.77 75.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -58.42 -49.24 77.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -92.93 32.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -74.2 -46.09 44.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 74' ' ' GLU . 12.6 pt-20 -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 41.4 tt0 -62.16 -50.11 73.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.9 mt -58.79 -33.1 69.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.09 42.49 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.43 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 4.5 t80 -84.93 100.9 11.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.808 0.337 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' A' ' 81' ' ' TYR . 14.5 mmm180 -52.07 154.16 4.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.553 ' HB2' HG12 ' A' ' 107' ' ' VAL . 54.3 Cg_endo -69.73 -25.42 28.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -83.09 29.06 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.569 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 8.8 m-85 -118.29 133.55 55.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -131.83 168.41 17.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.67 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -65.97 -47.57 74.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.579 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 15.2 t -45.14 -38.35 5.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -72.6 -37.03 68.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 83' ' ' ALA . 78.6 mt -53.01 100.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -38.63 122.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 112.21 -38.71 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.479 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 79.3 t80 -35.22 -55.3 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.5 t -53.81 -41.76 67.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 88' ' ' GLY . 81.0 mt -60.9 -42.4 97.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.904 HD21 ' HA ' ' A' ' 21' ' ' GLU . 69.2 mt -52.07 171.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -76.42 149.07 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.058 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.8 m -54.55 -51.32 65.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.03 -61.1 2.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -55.32 -46.86 76.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.902 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' A' ' 89' ' ' PHE . 3.2 mtpm? -51.03 -60.25 3.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -42.56 -42.33 3.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -54.62 -49.21 71.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 103' ' ' GLN . 38.3 mt -59.55 -55.64 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' LEU . 38.3 mtmt -36.68 -48.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -64.31 -39.02 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 100' ' ' LEU . 30.4 mt-30 -66.96 -50.3 62.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.6 mt -115.98 75.6 5.82 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.643 0.735 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -7.57 21.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.661 2.241 . . . . 0.0 112.331 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 79' ' ' PRO . . . 108.91 -112.48 3.49 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.492 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.553 HG12 ' HB2' ' A' ' 79' ' ' PRO . 29.5 m -93.16 116.64 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 111.075 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -87.82 43.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 44.7 t -54.26 -53.03 59.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.09 -43.9 87.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -60.78 -129.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -65.02 114.26 4.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.326 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 113' ' ' ARG . 0.8 OUTLIER -122.33 149.1 44.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -51.26 131.27 27.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.62 -153.5 9.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -132.27 172.19 12.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -83.64 164.64 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.3 t -117.08 149.44 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.44 167.02 29.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 145.15 -178.43 22.93 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 11.5 p -94.08 150.46 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.837 0.351 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.68 174.4 5.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -96.85 160.33 14.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 18.5 m -42.23 160.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -85.3 175.12 9.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -158.27 109.6 2.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -136.78 -178.25 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -112.64 179.56 3.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.1 t -66.15 176.43 1.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -136.86 153.37 21.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -173.02 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.9 t -92.8 178.17 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.5 t -111.58 -62.73 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.139 -0.812 . . . . 0.0 112.454 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -140.78 173.6 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -114.44 174.55 5.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.7 115.9 0.52 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -157.48 143.68 17.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.88 0.371 . . . . 0.0 110.83 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -174.98 159.02 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.73 139.66 5.15 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.503 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -169.12 -170.57 33.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.1 m -121.92 82.52 1.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.3 tttp -115.09 128.71 56.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.55 107.7 20.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -158.18 132.52 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.03 45.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.2 m -113.74 144.12 43.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 ' CD1' ' A' ' 81' ' ' TYR . 42.0 mt -72.28 110.64 6.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.52 -41.76 24.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.434 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.2 p-10 -65.59 -40.14 92.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.859 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE1' ' HG3' ' A' ' 46' ' ' LYS . 98.0 m-85 -102.37 140.12 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -152.66 150.51 29.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -131.5 127.65 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.097 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -164.15 171.89 14.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -74.33 144.35 44.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -62.93 133.58 54.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.113 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mtpt -79.11 -48.54 14.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.6 m -133.01 159.18 40.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -88.4 38.02 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -100.04 -50.97 3.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.7 t -46.74 153.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -143.51 126.61 16.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 50.6 t -61.64 155.54 22.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -104.37 -27.25 12.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.25 -44.91 93.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' SG ' ' CD ' ' A' ' 35' ' ' GLU . 7.8 p -107.72 -17.04 14.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.893 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 23.2 mtm 62.57 54.38 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' CD ' ' SG ' ' A' ' 33' ' ' CYS . 5.1 pt-20 -136.0 139.07 42.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 146.43 2.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 81.7 mt -100.22 103.23 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -49.9 145.77 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.8 tttt -73.24 127.27 32.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 102.67 -40.03 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.6 mm-40 -55.12 125.74 21.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.9 t -41.18 148.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' NE ' ' CZ3' ' A' ' 62' ' ' TRP . 34.8 ptt180 -153.94 161.95 41.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.7 mp -130.91 153.15 49.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 26.3 p -124.55 145.47 49.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' HD2' HD22 ' A' ' 75' ' ' LEU . 25.0 tttm -132.26 115.24 15.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' HG2' ' CE ' ' A' ' 58' ' ' MET . 32.6 tttm -78.89 113.5 17.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -160.6 167.87 26.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.0 t -92.02 138.63 19.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.177 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.65 129.57 54.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.558 0.694 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.4 37.5 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.68 2.253 . . . . 0.0 112.354 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -87.35 -48.92 7.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtmm -115.53 81.61 9.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.59 0.709 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -32.29 18.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.65 2.233 . . . . 0.0 112.333 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -48.5 -47.61 38.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.8 mt -61.09 -45.44 94.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.38 -126.34 7.94 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.509 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.448 ' CE ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmm -65.26 130.06 41.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.709 0.29 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.5 pt -139.88 168.04 18.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.17 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.66 121.26 42.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 25.3 mmm-85 -106.27 170.21 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.459 ' CZ3' ' NE ' ' A' ' 43' ' ' ARG . 98.1 m95 -136.0 139.04 42.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -149.91 122.04 8.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 36.8 m80 -48.4 149.56 2.73 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -47.95 -34.26 22.2 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.701 2.268 . . . . 0.0 112.362 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.29 -33.83 52.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.08 -31.87 56.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.552 ' CD2' HD22 ' A' ' 44' ' ' LEU . 36.2 t80 -61.27 -37.27 82.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG21 ' HB3' ' A' ' 103' ' ' GLN . 59.0 t -73.68 -41.72 54.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -66.2 -44.54 83.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -99.74 33.24 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 36.0 ptt85 -71.04 -41.47 70.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 72' ' ' ARG . 11.0 pt-20 -76.33 -46.03 29.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -57.9 -49.34 77.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.502 HD22 ' HD2' ' A' ' 46' ' ' LYS . 30.6 mt -62.47 -36.01 81.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 103.86 41.27 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.48 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.59 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 72.1 t80 -90.49 92.77 9.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.561 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 1.7 mmp_? -41.68 146.73 0.56 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.833 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -14.68 36.34 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.658 2.239 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -74.55 -25.28 59.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 18.4 m-85 -80.97 131.99 35.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 69.2 m -128.59 164.98 21.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.689 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -48.25 -50.96 27.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.565 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 11.3 m -46.44 -36.51 6.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.838 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -77.18 -37.83 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 83' ' ' ALA . 39.5 mt -50.7 106.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -41.56 120.28 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.62 -36.35 3.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.578 ' HA ' HD12 ' A' ' 92' ' ' LEU . 76.9 t80 -39.54 -49.87 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -61.66 -38.04 86.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 88' ' ' GLY . 87.5 mt -64.71 -45.4 86.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 89' ' ' PHE . 25.5 mt -47.94 157.82 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -69.23 149.67 48.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.4 m -46.93 -42.26 17.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -61.3 -56.45 20.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 21.1 m-20 -56.5 -45.13 81.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 25.0 mttt -42.33 -57.28 2.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -51.11 -48.97 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -42.4 -57.78 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.6 mt -58.24 -55.38 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -39.94 -52.19 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 44.1 mttm -49.51 -46.99 49.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' HB3' HG21 ' A' ' 69' ' ' VAL . 86.7 mt-30 -69.16 -48.97 60.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.9 mt -115.32 75.28 4.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.606 0.717 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -26.23 27.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 116.82 -175.24 15.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 107' ' ' VAL . 3.1 t -41.01 131.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 111.092 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.17 161.85 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.5 t -68.84 -48.2 64.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -64.11 92.04 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 161.45 167.51 22.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 38.8 mttm -136.48 136.96 39.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 113' ' ' ARG . 21.7 ttp-105 -118.02 136.45 53.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 115' ' ' GLY . 12.3 ptpt -85.1 -48.26 9.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.47 ' N ' ' HG3' ' A' ' 114' ' ' LYS . . . 76.0 157.66 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.461 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -146.9 118.47 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.746 0.307 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.82 105.45 4.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.2 t -110.61 139.75 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -115.71 -36.16 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 86.15 124.12 1.55 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 122' ' ' ASP . 6.5 p -104.99 131.86 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.834 0.349 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 121' ' ' VAL . 6.3 t0 34.16 42.16 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -80.48 82.36 6.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 17.9 m -62.43 -38.88 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -56.15 105.57 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -174.86 128.8 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -100.84 -62.11 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 129' ' ' SER . 63.0 tttt -160.39 147.82 16.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.92 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 128' ' ' LYS . 5.6 m -77.38 82.94 3.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -146.01 -162.04 9.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -177.93 2.1 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.724 2.283 . . . . 0.0 112.343 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 34.1 t -155.16 156.04 35.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -101.82 165.09 11.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.434 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 p -116.74 159.9 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -155.1 161.06 41.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.865 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 151.3 6.53 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -156.17 147.53 22.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -166.9 145.28 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.41 172.81 20.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.517 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.15 129.77 2.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 m -137.55 142.93 41.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.884 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -112.84 168.58 9.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.61 166.48 4.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -88.3 -38.39 15.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -128.85 86.07 2.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.449 ' CG2' ' HG3' ' A' ' 87' ' ' LYS . 97.5 m -164.03 138.4 5.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 37.8 mt -81.82 116.79 21.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.47 -42.3 10.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 18' ' ' PHE . 27.9 p-10 -54.4 -42.1 70.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.594 ' CE2' ' OD2' ' A' ' 17' ' ' ASP . 94.2 m-85 -102.68 134.55 45.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -150.26 132.03 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.01 130.38 55.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.781 ' HA ' HD21 ' A' ' 92' ' ' LEU . 9.7 pt-20 -174.87 172.57 2.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -63.45 151.15 41.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.683 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -72.98 158.41 35.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -99.15 -48.18 4.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.1 m -139.0 149.3 44.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.836 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 38' ' ' GLU . 3.4 t-20 -78.36 55.16 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -116.86 -39.67 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -52.44 154.33 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.722 HG23 ' O ' ' A' ' 35' ' ' GLU . 91.8 m -138.37 127.6 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.9 t -68.0 120.03 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -73.6 -34.01 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -52.99 -55.18 25.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.524 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.1 p -115.13 28.24 8.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 110.865 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 33' ' ' CYS . 3.4 mmt 36.63 39.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.722 ' O ' HG23 ' A' ' 29' ' ' THR . 4.6 mm-40 -98.87 168.45 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 38' ' ' GLU . 0.0 OUTLIER -101.57 130.6 47.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.504 HG23 HE21 ' A' ' 41' ' ' GLN . 43.3 mt -87.92 117.16 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 7.6 mm-40 -72.92 168.37 19.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -84.69 117.54 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.683 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 116.58 -48.9 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.504 HE21 HG23 ' A' ' 37' ' ' ILE . 12.0 pt20 -52.43 137.55 29.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -53.42 141.56 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' NE ' ' CE3' ' A' ' 62' ' ' TRP . 14.2 ptt180 -155.96 143.7 19.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD22 ' CD2' ' A' ' 68' ' ' PHE . 4.3 mp -109.24 156.9 19.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.3 p -127.23 155.53 43.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tttm -141.78 113.53 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -65.3 116.62 6.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.6 ptm -161.14 162.8 31.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.1 t -93.27 133.62 33.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.137 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -66.87 121.32 77.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.713 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -19.04 36.65 Favored 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.75 2.3 . . . . 0.0 112.354 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -90.16 -36.78 14.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -123.89 82.36 55.55 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -16.33 37.4 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.323 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -63.72 -44.61 93.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 mt -58.09 -47.83 82.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.53 -133.2 11.48 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -69.85 122.72 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.745 0.307 . . . . 0.0 110.859 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.0 pt -134.15 172.71 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.45 124.41 40.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -105.67 174.76 5.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.508 ' CE3' ' NE ' ' A' ' 43' ' ' ARG . 97.2 m95 -136.79 147.06 46.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 10.5 m-85 -148.39 165.39 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.928 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -83.48 145.62 48.5 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.816 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -47.98 -37.01 28.87 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.312 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.8 -33.37 57.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 33.6 m -77.04 -28.07 54.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 0.0 110.887 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.539 ' CD2' HD22 ' A' ' 44' ' ' LEU . 32.0 t80 -64.73 -38.07 89.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -72.42 -53.48 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -54.73 -46.67 74.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -98.91 32.01 2.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -69.72 -50.86 39.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.86 -48.81 72.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.75 -56.67 13.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 49.8 mt -54.92 -33.28 61.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.49 38.53 1.91 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 41.4 t80 -92.76 97.69 10.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.568 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 66.8 mtt180 -57.59 151.94 37.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.596 0.712 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -6.14 17.84 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.479 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 4.3 pt-20 -80.09 -21.82 42.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 11.4 m-85 -90.15 144.55 25.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.8 p -132.79 177.93 7.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 86' ' ' LEU . . . -66.79 -40.84 88.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.497 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 84.8 p -51.38 -38.96 56.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -71.83 -37.32 70.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD12 ' HA ' ' A' ' 83' ' ' ALA . 91.9 mt -50.62 110.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 7.8 mtpm? -47.28 133.28 12.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.598 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . 96.64 -22.56 39.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 23.6 t80 -49.85 -59.31 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.8 m -53.42 -21.49 6.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD12 ' HA2' ' A' ' 88' ' ' GLY . 30.1 mt -82.94 -32.26 27.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 21' ' ' GLU . 78.7 mt -54.18 150.43 8.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -63.0 131.78 49.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 93' ' ' ALA . 77.9 m -32.19 -58.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -39.88 -55.92 1.89 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 97' ' ' LYS . 22.0 t70 -63.95 -49.64 71.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.3 mtpt -35.21 -63.36 0.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' CD ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -46.01 -62.37 1.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -37.42 -53.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.9 mt -62.04 -39.49 92.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' GLU . 21.9 mtpp -60.64 -42.83 97.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 103' ' ' GLN . 6.9 ptmt -73.5 -26.04 60.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 102' ' ' LYS . 34.8 mt-30 -76.93 -49.47 15.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.2 mt -115.95 75.86 5.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.62 0.724 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -31.48 20.47 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.301 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 125.07 -126.28 5.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.453 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.436 HG23 ' H ' ' A' ' 107' ' ' VAL . 1.8 t -46.7 128.31 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.92 0.39 . . . . 0.0 111.121 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -161.15 135.71 7.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 90.6 p -103.66 157.09 17.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -141.45 175.41 9.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -145.01 174.56 25.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -131.11 160.65 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 31.8 ttt85 -160.17 127.29 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 5.6 mmmm -125.94 167.19 15.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.46 -51.58 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.451 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -44.38 133.74 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.5 mp0 -101.28 177.01 5.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.0 t -148.22 138.34 16.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -103.27 162.77 12.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -96.71 164.05 22.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.3 p -148.39 146.14 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -172.39 174.24 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -124.55 163.75 21.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 13.6 p -91.01 -31.28 4.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.93 94.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.0 94.01 4.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -166.56 160.85 15.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.09 136.45 52.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.1 m -73.78 173.48 9.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -137.91 160.05 25.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 177.64 5.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 57.4 p -118.36 162.26 18.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.5 t -101.97 176.76 5.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.509 -179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -151.34 148.82 28.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 t -140.85 161.72 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.96 -175.1 38.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -164.69 132.85 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 0.0 110.845 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -53.16 155.66 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.27 -114.39 0.53 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.18 75.13 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.3 t -139.39 174.05 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -136.23 177.87 7.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.16 146.09 19.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.59 33.92 4.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 tptt 62.62 39.34 11.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -152.35 167.94 27.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.0 121.8 11.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.77 -30.64 20.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.47 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 34.9 m-20 -62.1 -40.64 96.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -104.58 141.2 36.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -145.02 139.78 27.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -125.06 130.65 52.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -169.98 162.37 9.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -67.56 123.35 20.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -38.66 135.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -77.81 -49.13 14.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 18.1 t -137.39 154.72 49.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.801 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -83.3 47.59 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 4.8 mmm180 -109.31 -52.95 2.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 t -38.57 157.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.76 HG23 ' O ' ' A' ' 35' ' ' GLU . 96.5 m -142.0 127.72 19.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.155 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' GLU . 38.3 t -64.35 127.04 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -83.27 -27.55 29.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.81 -45.0 96.53 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 34' ' ' MET . 7.2 p -126.06 29.95 5.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.833 0.349 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.433 ' C ' ' O ' ' A' ' 33' ' ' CYS . 7.4 mtp 35.87 39.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.915 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.76 ' O ' HG23 ' A' ' 29' ' ' THR . 7.0 mm-40 -99.44 166.35 11.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -100.75 132.0 46.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 35.3 mt -88.72 126.72 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -84.22 157.49 21.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -73.55 124.67 26.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.61 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.79 -34.67 5.61 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.442 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -60.42 130.89 48.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.1 t -48.78 125.61 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.536 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 28.2 ptt180 -129.36 149.53 51.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.583 HD13 ' CD2' ' A' ' 68' ' ' PHE . 8.7 mt -125.74 124.55 41.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.958 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.52 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 64.2 p -108.39 139.7 42.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -121.59 120.82 35.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -69.88 109.34 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ppp? -165.81 158.26 14.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 57' ' ' GLY . 1.9 m -89.49 148.77 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -55.44 124.9 57.55 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -18.31 37.21 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.654 2.236 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -96.75 -52.06 4.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -114.2 80.44 5.7 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.577 0.703 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -4.43 14.05 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.301 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -61.25 -20.58 63.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 mt -83.66 -43.9 15.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.412 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 92.22 -136.0 13.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.532 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.1 mmt -64.12 121.93 15.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 pt -142.15 151.08 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.55 134.1 40.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' HB3' ' CE1' ' A' ' 63' ' ' TYR . 13.8 mmt85 -129.55 166.71 19.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.903 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.536 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 99.9 m95 -133.77 152.13 51.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 55.1 m-85 -156.79 154.61 30.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -71.39 149.15 93.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.484 ' HA ' HD12 ' A' ' 44' ' ' LEU . 64.8 Cg_exo -47.98 -38.83 32.13 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.75 2.3 . . . . 0.0 112.313 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.05 -36.46 46.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.9 m -74.28 -22.95 59.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CD2' HD13 ' A' ' 44' ' ' LEU . 34.2 t80 -70.17 -38.47 75.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.9 t -78.65 -47.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -56.58 -42.83 79.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -98.76 30.91 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.6 ptt85 -69.97 -46.19 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.92 -31.96 73.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -76.33 -44.87 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.55 -29.41 67.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.927 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.85 38.29 3.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.443 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 23.7 t80 -84.71 106.62 16.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.7 156.46 84.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -7.58 21.39 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.486 ' HG3' ' CD1' ' A' ' 81' ' ' TYR . 19.0 pt-20 -79.23 -13.0 59.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.486 ' CD1' ' HG3' ' A' ' 80' ' ' GLU . 10.1 m-85 -96.25 140.26 31.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -124.88 175.16 7.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -77.67 -22.25 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.559 ' HA ' ' CD2' ' A' ' 89' ' ' PHE . 1.9 t -79.41 -8.74 59.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -99.95 8.76 43.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 72.0 mt -90.12 119.75 30.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.0 mttm -49.98 125.44 12.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 93.1 -7.49 76.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 84' ' ' SER . 81.5 t80 -59.61 -55.19 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.373 . . . . 0.0 110.868 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 m -52.22 -28.93 20.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 56.2 mt -70.8 -42.77 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 65.7 mt -47.24 150.36 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.57 139.56 57.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.1 m -43.84 -38.43 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -63.46 -58.79 5.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 26.1 m-20 -53.03 -40.94 64.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' HD3' ' CE2' ' A' ' 89' ' ' PHE . 30.7 mttt -48.15 -59.08 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -45.96 -46.12 16.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -49.19 -45.58 44.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 103' ' ' GLN . 50.2 mt -70.87 -55.33 8.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -39.33 -37.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -71.48 -44.17 65.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 100' ' ' LEU . 35.5 mt-30 -64.2 -49.79 70.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.6 mt -115.55 78.92 6.9 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.9 3.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.385 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 90.48 -107.4 3.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.461 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.3 m -88.59 125.31 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.931 0.396 . . . . 0.0 111.109 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -32.32 145.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.9 m -108.52 -61.65 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -62.62 133.72 55.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -43.21 132.54 5.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.443 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -104.13 124.73 49.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.11 152.36 28.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -95.89 111.65 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.96 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.51 56.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -156.47 117.03 3.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -53.02 109.13 0.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.45 144.02 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -162.8 152.91 16.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 101.32 130.38 7.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 121' ' ' VAL . 11.8 p -139.68 123.49 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.128 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.427 ' CG ' ' O ' ' A' ' 122' ' ' ASP . 9.4 p-10 -42.76 101.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -91.4 84.19 5.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.501 HG22 ' N ' ' A' ' 125' ' ' ALA . 11.2 p -156.59 160.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.501 ' N ' HG22 ' A' ' 124' ' ' VAL . . . -82.14 113.94 20.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -129.1 -176.12 3.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.49 137.56 32.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -133.01 118.27 18.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -65.81 126.81 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.45 142.2 17.11 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 164.87 32.93 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 96.1 p -79.87 158.58 26.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.9 p -149.66 177.37 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.498 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.447 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.7 t 34.7 42.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -117.36 160.93 20.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.64 112.86 0.31 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -166.79 127.45 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -64.07 97.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.8 81.41 0.22 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -127.3 -171.2 13.0 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 100.0 p -50.33 153.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 110.887 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -136.62 109.8 7.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.573 ' HB1' ' HB ' ' A' ' 14' ' ' THR . . . -165.27 135.06 3.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -93.47 -38.02 11.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -128.49 41.95 3.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.816 HG21 ' HA ' ' A' ' 87' ' ' LYS . 54.8 m -150.68 133.54 15.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.19 139.38 57.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.33 -38.79 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.86 -49.46 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' CE2' ' HG2' ' A' ' 46' ' ' LYS . 9.5 m-85 -102.95 158.19 16.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -153.61 155.57 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.126 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -140.49 116.91 10.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -158.74 161.39 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -65.87 129.45 39.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.62 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -54.68 137.25 44.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.074 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -85.96 -41.03 15.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.2 t -137.13 148.43 46.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -82.6 38.59 0.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 27' ' ' ARG . 14.9 mmp_? -93.34 -52.41 4.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.436 ' HB3' HD12 ' A' ' 37' ' ' ILE . 1.4 t -46.48 150.93 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.6 m -142.07 127.6 18.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 53.8 t -61.37 155.71 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -101.98 -29.27 11.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -63.65 -50.6 60.53 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.531 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -100.9 -16.26 17.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 37.2 mtm 62.36 42.8 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.26 137.42 54.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.75 149.37 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.94 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.436 HD12 ' HB3' ' A' ' 28' ' ' SER . 93.9 mt -101.09 106.1 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.169 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -48.82 149.63 1.74 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -79.37 125.24 29.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.62 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 104.08 -38.09 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -55.82 136.45 51.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.917 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.9 t -52.82 132.05 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.56 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 22.3 ptt180 -131.44 170.1 15.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 86' ' ' LEU . 6.0 mt -144.97 129.92 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.523 ' HB3' ' CZ3' ' A' ' 62' ' ' TRP . 79.3 p -105.32 155.24 19.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' HG2' ' CE2' ' A' ' 18' ' ' PHE . 6.0 tmtm? -138.05 140.51 40.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 46' ' ' LYS . 31.5 ttpt -108.36 108.62 19.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.5 ppp? -152.0 159.82 43.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -88.67 138.68 18.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.85 128.59 55.59 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.58 0.705 . . . . 0.0 110.866 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.82 35.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.71 2.273 . . . . 0.0 112.328 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -81.69 -51.89 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -114.9 75.23 3.76 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.526 0.679 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.7 36.55 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -62.95 -21.53 66.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.5 mt -85.96 -46.13 10.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.93 -115.71 4.73 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -77.68 126.63 31.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.749 0.309 . . . . 0.0 110.852 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.7 pt -134.59 157.85 41.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -108.38 132.33 53.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -125.22 175.49 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.56 ' CE3' ' HD2' ' A' ' 43' ' ' ARG . 93.4 m95 -139.01 146.46 40.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -155.13 127.27 7.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.584 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 46.0 m80 -55.87 153.95 15.37 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.612 0.72 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.95 -35.62 25.42 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.633 2.222 . . . . 0.0 112.38 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -75.63 -32.36 54.49 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 30.2 m -79.12 -32.81 44.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.89 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -58.66 -42.23 87.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.843 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.6 -34.02 67.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -60.95 -59.91 4.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -96.77 31.86 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -55.42 -43.67 75.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -75.65 -54.71 6.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -50.22 -47.76 54.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.0 mt -58.77 -29.5 66.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.61 42.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 81' ' ' TYR . 11.8 t80 -102.16 91.45 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 0.0 110.847 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.576 ' HB2' ' CD1' ' A' ' 81' ' ' TYR . 2.9 mmp_? -50.51 155.6 1.79 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -4.61 14.37 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.335 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.28 4.56 41.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.576 ' CD1' ' HB2' ' A' ' 78' ' ' ARG . 2.4 m-85 -92.99 148.3 22.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 64.3 m -133.23 167.2 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.436 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -71.42 -38.37 71.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.577 ' HA ' ' CD1' ' A' ' 89' ' ' PHE . 60.7 p -59.65 -11.91 5.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -98.06 19.01 14.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 44' ' ' LEU . 32.8 mt -102.0 117.89 35.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.816 ' HA ' HG21 ' A' ' 14' ' ' THR . 15.1 ttmm -43.28 107.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . 117.51 -38.76 2.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.479 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' CD1' ' HA ' ' A' ' 84' ' ' SER . 17.8 t80 -35.8 -54.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.9 t -55.18 -41.96 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 88' ' ' GLY . 54.7 mt -60.37 -42.99 96.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.6 mt -45.94 171.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -88.18 139.24 30.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 93' ' ' ALA . 30.9 m -34.94 -56.85 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -43.19 -54.03 4.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -64.43 -49.57 70.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 26.5 mttp -39.24 -57.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.57 -52.65 59.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -42.14 -36.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.091 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.1 mt -81.04 -42.64 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -58.08 -42.78 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -62.14 -23.44 66.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -89.05 -45.41 9.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.436 HD12 ' HB2' ' A' ' 83' ' ' ALA . 10.3 mt -113.24 75.8 2.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 4.91 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.329 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 99.07 -108.42 3.58 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.52 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -95.52 142.6 13.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.896 0.379 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.36 160.13 26.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 36.8 p -57.03 122.92 13.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.446 ' O ' ' CD ' ' A' ' 110' ' ' GLU . 2.2 pp20? -60.1 130.47 46.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.63 -66.57 1.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -96.69 134.69 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.312 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -68.6 117.26 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 116' ' ' ASP . 16.2 tptt -91.18 134.6 34.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 114' ' ' LYS . . . -33.87 95.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 114' ' ' LYS . 6.7 p-10 -47.78 144.68 3.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.786 0.327 . . . . 0.0 110.847 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -101.86 92.38 4.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.4 141.25 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -171.11 136.48 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -155.12 73.54 0.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.499 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.32 164.1 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.353 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -46.9 116.49 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.38 114.89 12.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 97.8 t -91.07 -59.2 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 126' ' ' LYS . . . -129.48 81.78 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 125' ' ' ALA . 13.0 ttpp -35.11 135.27 0.22 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -123.02 166.55 14.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.942 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.08 123.61 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.5 p -91.7 167.83 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -83.8 148.75 24.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.05 3.98 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.625 2.217 . . . . 0.0 112.373 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 39.7 m -126.81 174.55 8.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 79.0 p -167.31 176.45 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.121 -0.821 . . . . 0.0 112.508 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -133.43 159.23 40.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.849 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t -161.6 160.04 28.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.78 -123.67 7.05 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p 39.4 42.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.362 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 m -109.93 113.58 26.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.864 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.54 -138.55 1.4 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.13 85.96 0.93 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.9 t -87.36 94.85 9.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.994 0.425 . . . . 0.0 110.84 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.83 109.87 15.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.28 153.17 7.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -129.7 -39.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -121.91 43.89 2.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 96.3 m -158.58 146.96 18.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.2 mt -73.88 121.23 20.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -77.92 -35.4 35.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.537 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.91 -40.22 79.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CE2' ' HG3' ' A' ' 46' ' ' LYS . 83.3 m-85 -101.55 119.79 39.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -132.59 149.06 52.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -127.86 119.89 26.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -162.09 164.57 27.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -75.74 127.68 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.789 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -56.97 130.17 44.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 25' ' ' SER . 10.5 ptpp? -75.65 -43.21 48.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 91.3 p -135.58 163.3 30.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -81.89 40.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.0 mtp85 -102.04 39.56 1.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -138.34 144.95 40.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.785 HG23 ' O ' ' A' ' 35' ' ' GLU . 97.8 m -138.71 128.25 24.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.8 t -67.12 121.31 15.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 25.3 mmtt -79.19 -22.09 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -64.61 -49.74 62.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.2 p -118.96 25.06 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 34.3 mtt 40.97 40.11 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 29' ' ' THR . 2.4 mm-40 -101.76 168.62 9.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.47 128.73 50.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 57.5 mt -86.31 124.66 40.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -77.54 160.39 28.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 tttm -75.72 137.35 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.25 -33.1 5.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -65.45 128.02 34.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.842 0.353 . . . . 0.0 110.919 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.5 t -44.44 140.94 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.789 ' HD3' ' HB2' ' A' ' 23' ' ' ALA . 30.4 ptt180 -145.54 147.32 31.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.716 HD21 HD13 ' A' ' 86' ' ' LEU . 9.3 mt -119.08 115.89 25.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.413 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 91.5 p -96.45 158.43 15.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 18' ' ' PHE . 11.0 ttpt -144.14 112.12 6.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' HE2' ' A' ' 58' ' ' MET . 16.8 ttmt -64.95 114.22 4.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.3 ptm -154.95 169.62 23.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.4 t -96.13 135.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -80.41 126.81 77.91 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -24.62 29.68 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.321 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -75.12 -45.31 41.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -123.91 87.97 52.65 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.6 0.714 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -30.92 21.63 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.429 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 15.8 pt20 -47.53 -46.42 27.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 34.6 mt -61.47 -50.77 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.34 -125.6 7.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.417 ' HE2' ' HG2' ' A' ' 47' ' ' LYS . 46.6 mmm -66.91 132.25 47.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.8 pt -141.63 177.76 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -124.89 126.43 45.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.839 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -120.78 174.98 6.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.569 ' C ' ' CD1' ' A' ' 63' ' ' TYR . 67.3 m95 -137.61 153.21 49.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 31' ' ' LYS . 44.9 m-85 -154.41 165.66 35.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -82.21 143.56 48.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.628 0.728 . . . . 0.0 110.802 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.464 ' O ' HG23 ' A' ' 69' ' ' VAL . 64.7 Cg_exo -48.02 -37.37 29.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.66 2.24 . . . . 0.0 112.354 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.74 -34.89 52.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 29.8 m -78.63 -26.96 45.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.474 ' CD2' HD13 ' A' ' 44' ' ' LEU . 91.5 t80 -69.76 -33.56 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG21 ' HB3' ' A' ' 103' ' ' GLN . 52.0 t -80.61 -44.19 21.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -61.48 -44.36 97.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -105.19 32.79 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -70.5 -32.82 70.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.11 -46.1 71.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -66.95 -38.27 85.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.58 -31.4 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.56 43.47 1.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 81' ' ' TYR . 2.5 t80 -96.1 100.08 11.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.7 mtt85 -63.57 158.3 60.04 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.639 0.733 . . . . 0.0 110.837 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 107' ' ' VAL . 53.6 Cg_endo -69.8 3.93 2.51 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.628 2.219 . . . . 0.0 112.368 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 1.7 tt0 -93.96 -26.45 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 2.7 m-85 -82.97 121.17 26.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.2 p -122.59 176.3 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.868 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.556 ' HB2' HD12 ' A' ' 104' ' ' LEU . . . -58.67 -30.75 67.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.1 p -76.19 -20.59 57.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.39 -35.86 34.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.716 HD13 HD21 ' A' ' 44' ' ' LEU . 93.7 mt -51.04 137.28 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.4 tttt -64.87 161.76 17.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 40.19 32.07 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' CD2' ' O ' ' A' ' 83' ' ' ALA . 11.5 t80 -86.32 -46.1 10.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 -32.2 72.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.4 mt -64.17 -41.48 97.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.0 mt -46.55 154.46 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -66.14 139.33 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 93' ' ' ALA . 97.9 m -37.59 -55.96 1.07 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.5 -42.29 43.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 93' ' ' ALA . 0.8 OUTLIER -69.31 -31.98 70.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -64.15 -41.15 97.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.0 -48.1 77.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.2 -25.08 3.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 95.8 mt -89.81 -40.47 12.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 30.9 mttm -62.88 -41.91 99.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -51.96 -41.85 62.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.717 ' HB3' HG21 ' A' ' 69' ' ' VAL . 8.9 mm-40 -80.24 -32.31 38.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 83' ' ' ALA . 6.5 mt -114.32 94.02 33.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.623 0.725 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 3.39 2.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 107' ' ' VAL . . . 93.05 47.51 3.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' PRO . 1.8 m -35.27 152.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.903 0.383 . . . . 0.0 111.165 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -127.48 -50.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.405 ' N ' ' HB2' ' A' ' 79' ' ' PRO . 15.2 m -141.12 173.31 11.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.842 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -143.96 142.62 30.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.71 -87.03 1.06 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt 52.48 43.43 31.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.839 0.352 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -65.09 156.89 30.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -72.77 -56.52 5.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.77 152.01 38.32 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.436 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -148.52 158.85 44.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.775 0.321 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -134.4 114.84 13.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.28 138.01 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -100.19 81.34 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -176.05 122.21 0.85 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 43.2 t -122.72 91.62 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 0.0 111.069 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -64.39 119.36 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -138.63 170.04 16.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 23.0 m -62.53 -39.33 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -143.29 142.23 31.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -135.72 146.86 48.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -76.69 163.64 26.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 43.9 t -79.8 -48.89 12.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 169.6 86.54 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 169.54 18.68 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.29 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 133' ' ' SER . 93.6 p -172.17 173.63 4.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 132' ' ' SER . 29.0 t -37.58 -47.36 0.92 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.539 -179.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -158.37 141.51 14.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.905 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -132.19 150.1 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.22 -176.34 26.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.49 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -151.67 135.54 16.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.918 0.389 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 m -120.55 146.94 45.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.834 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.5 -48.37 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.522 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 99.45 130.29 6.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.4 m -126.76 97.76 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.31 133.83 50.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.3 45.48 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.151 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -127.59 143.33 51.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -86.34 81.91 8.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 85' ' ' GLN . 26.6 m -139.3 142.28 37.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.169 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD11 ' CD1' ' A' ' 81' ' ' TYR . 40.1 mt -75.92 91.18 3.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -48.54 -43.71 28.43 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 18' ' ' PHE . 3.2 p30 -54.78 -39.58 68.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.445 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 35.3 m-85 -101.63 124.39 47.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -133.1 135.38 45.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.546 ' HB2' HD23 ' A' ' 44' ' ' LEU . . . -124.0 136.17 54.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.08 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -173.98 174.97 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -78.57 123.49 27.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HB3' ' H ' ' A' ' 40' ' ' GLY . . . -48.11 121.97 4.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? -72.98 -44.51 60.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 m -137.7 149.53 46.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -82.28 41.86 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -96.31 -57.59 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 73.9 m -45.17 140.67 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.438 HG23 ' C ' ' A' ' 35' ' ' GLU . 19.1 m -127.75 131.26 49.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 64' ' ' HIS . 42.7 t -66.06 153.11 43.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -26.71 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.9 -44.4 91.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.501 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.9 p -107.01 -15.3 14.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 73.8 mtm 59.96 52.51 5.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.438 ' C ' HG23 ' A' ' 29' ' ' THR . 3.7 pt-20 -138.38 137.02 36.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 145.17 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 HG12 ' NE2' ' A' ' 64' ' ' HIS . 94.8 mt -93.05 134.23 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.7 139.68 45.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.3 tttt -71.76 132.19 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 23' ' ' ALA . . . 98.3 -38.26 3.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -60.43 144.87 50.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.6 t -57.11 140.53 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' HD2' ' CE3' ' A' ' 62' ' ' TRP . 29.3 ptt180 -138.52 167.69 21.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.546 HD23 ' HB2' ' A' ' 20' ' ' ALA . 5.8 mt -145.76 113.37 6.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.549 ' HB3' ' CE3' ' A' ' 62' ' ' TRP . 38.3 p -98.0 151.27 20.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.711 ' HD3' HD22 ' A' ' 75' ' ' LEU . 34.8 tttp -125.97 135.86 52.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -102.74 111.01 23.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HA ' ' HE1' ' A' ' 58' ' ' MET . 4.7 ptm -155.22 169.15 24.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 57' ' ' GLY . 78.6 t -99.58 149.63 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -96.91 123.56 53.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -17.22 37.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -82.54 -45.19 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -124.67 82.56 59.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.59 0.71 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -10.88 29.65 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 56' ' ' LEU . 9.0 pt20 -61.95 -43.26 99.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 55' ' ' GLN . 38.9 mt -62.71 -43.3 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 49' ' ' VAL . . . 94.9 -110.17 3.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.425 ' HE1' ' HA ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -97.03 118.7 34.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.729 0.299 . . . . 0.0 110.858 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.541 HD12 ' CD ' ' A' ' 61' ' ' ARG . 17.0 pt -111.91 170.12 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -141.37 112.6 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.541 ' CD ' HD12 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -103.01 -179.18 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 -179.851 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 45' ' ' SER . 62.7 m95 -138.8 148.07 43.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 62' ' ' TRP . 17.6 m-85 -151.69 132.44 14.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 30' ' ' CYS . 18.3 m80 -59.04 152.05 52.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.657 0.741 . . . . 0.0 110.84 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.451 ' O ' HG23 ' A' ' 69' ' ' VAL . 65.1 Cg_exo -48.01 -40.26 33.28 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -37.64 93.05 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.495 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 38.3 m -73.13 -40.31 65.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -56.35 -42.62 78.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 65' ' ' PRO . 98.9 t -64.94 -36.91 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -71.82 -47.1 55.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -99.5 32.66 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -71.67 -45.26 62.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 110' ' ' GLU . 77.9 mt-10 -68.38 -46.39 70.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -62.67 -45.92 90.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.95 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.711 HD22 ' HD3' ' A' ' 46' ' ' LYS . 15.6 mt -59.66 -35.96 75.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 110.28 46.98 0.83 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.493 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -94.37 92.96 7.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.855 0.36 . . . . 0.0 110.837 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . 81.8 mmt-85 -50.86 154.16 2.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.713 . . . . 0.0 110.86 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 2.05 3.85 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.384 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 80' ' ' GLU . 2.6 tt0 -101.82 -26.39 13.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 78' ' ' ARG . 13.3 m-85 -77.96 122.79 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.9 t -129.01 171.99 11.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.834 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.573 ' HB1' ' CE1' ' A' ' 89' ' ' PHE . . . -46.91 -39.13 11.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.078 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 p -60.03 -33.04 71.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 14' ' ' THR . 2.5 mm-40 -71.48 -32.95 68.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 83' ' ' ALA . 75.4 mt -54.6 138.4 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' C ' ' HD2' ' A' ' 87' ' ' LYS . 2.2 tmmm? -73.87 113.68 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 97.97 33.3 5.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' CE1' ' HB1' ' A' ' 83' ' ' ALA . 79.8 t80 -84.47 -51.16 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.8 t -53.56 -31.58 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.8 -38.17 79.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.517 HD13 HD12 ' A' ' 100' ' ' LEU . 89.7 mt -45.21 149.47 0.5 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 94' ' ' THR . . . -62.64 127.08 29.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.453 ' C ' ' O ' ' A' ' 93' ' ' ALA . 27.0 m -33.42 -51.9 0.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -55.3 -48.29 74.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 1.2 m-20 -64.89 -50.09 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 96' ' ' ASP . 14.4 mtpt -37.37 -65.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -47.3 -46.96 25.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 96' ' ' ASP . . . -47.74 -52.17 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD12 HD13 ' A' ' 92' ' ' LEU . 35.4 mt -62.17 -60.78 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 100' ' ' LEU . 33.3 mtpt -34.1 -49.5 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -50.31 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -57.46 -49.46 76.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -110.19 77.84 1.26 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.42 37.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.707 2.271 . . . . 0.0 112.366 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 96.47 -90.48 1.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 32.3 m -59.86 169.29 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.894 0.378 . . . . 0.0 111.136 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.54 41.49 1.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.3 p -132.74 145.77 51.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.433 ' HB3' ' CG ' ' A' ' 73' ' ' GLU . 9.4 tp10 -50.89 102.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 152.2 72.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -175.01 137.45 0.41 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -95.16 42.48 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt 40.18 43.95 1.46 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -65.56 154.61 50.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -151.25 124.45 8.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.785 0.326 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -127.21 91.23 3.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.7 p -50.52 147.47 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -44.32 134.35 5.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.4 -141.81 4.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 12.9 p -154.96 150.11 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.809 0.338 . . . . 0.0 111.099 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -104.26 166.81 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 124' ' ' VAL . 22.2 mt-10 -155.58 150.4 26.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.597 HG12 ' O ' ' A' ' 124' ' ' VAL . 47.0 t 34.96 53.18 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.122 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -133.57 119.24 19.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.111 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 126' ' ' LYS . 0.0 OUTLIER -155.15 173.16 16.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -130.45 125.53 34.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -130.38 94.93 3.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.8 m -137.18 164.42 28.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -92.59 138.0 13.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 140.11 41.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -129.57 105.54 8.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 81.6 p -92.02 124.13 35.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.163 -0.798 . . . . 0.0 112.488 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_